USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 767 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 HIS : no HE2:sc= -1.19 K(o=-2.2,f=-3.4!) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= -0.969 USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0157 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 28:sc= 0.332 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0204 K(o=-0.02,f=-0.78) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.528 K(o=-0.53,f=-3.2!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= -0.138 (180deg=-0.18) USER MOD Single : A 42 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0189) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= -0.0105 (180deg=-0.154) USER MOD Single : A 48 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.16) USER MOD Single : A 49 SER OG : rot -101:sc= 0.0702 USER MOD Single : A 51 SER OG : rot -52:sc= 0.0193 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.18 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= -2.05! C(o=-2!,f=-6.4!) USER MOD Single : A 76 ASN : amide:sc= -0.993 K(o=-0.99,f=-0.35) USER MOD Single : A 79 HIS : no HE2:sc= -6.96! C(o=-7!,f=-11!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -155:sc= -0.0631 (180deg=-0.441) USER MOD Single : A 86 ASN : amide:sc= -3.21! K(o=-3.2!,f=-1.8) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc=-0.00848 K(o=-0.0085,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.508 31.584 0.378 1.00 0.00 N ATOM 2 CA GLY A 1 12.258 31.080 0.914 1.00 0.00 C ATOM 3 C GLY A 1 11.912 29.703 0.384 1.00 0.00 C ATOM 4 O GLY A 1 12.797 28.874 0.167 1.00 0.00 O ATOM 0 H1 GLY A 1 14.036 32.072 1.129 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.075 30.791 0.015 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.310 32.251 -0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.322 31.042 2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.454 31.774 0.666 1.00 0.00 H new ATOM 8 N SER A 2 10.623 29.456 0.177 1.00 0.00 N ATOM 9 CA SER A 2 10.162 28.167 -0.325 1.00 0.00 C ATOM 10 C SER A 2 9.766 28.267 -1.795 1.00 0.00 C ATOM 11 O SER A 2 9.381 29.333 -2.275 1.00 0.00 O ATOM 12 CB SER A 2 8.976 27.667 0.501 1.00 0.00 C ATOM 13 OG SER A 2 9.354 27.434 1.847 1.00 0.00 O ATOM 0 H SER A 2 9.879 30.132 0.349 1.00 0.00 H new ATOM 0 HA SER A 2 10.983 27.456 -0.235 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.171 28.401 0.468 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.587 26.747 0.065 1.00 0.00 H new ATOM 0 HG SER A 2 8.578 27.117 2.354 1.00 0.00 H new ATOM 19 N SER A 3 9.864 27.148 -2.506 1.00 0.00 N ATOM 20 CA SER A 3 9.520 27.109 -3.922 1.00 0.00 C ATOM 21 C SER A 3 8.092 27.597 -4.148 1.00 0.00 C ATOM 22 O SER A 3 7.847 28.467 -4.983 1.00 0.00 O ATOM 23 CB SER A 3 9.677 25.688 -4.468 1.00 0.00 C ATOM 24 OG SER A 3 9.637 25.679 -5.884 1.00 0.00 O ATOM 0 H SER A 3 10.179 26.256 -2.124 1.00 0.00 H new ATOM 0 HA SER A 3 10.201 27.773 -4.454 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.621 25.265 -4.125 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.883 25.054 -4.075 1.00 0.00 H new ATOM 0 HG SER A 3 9.741 24.760 -6.208 1.00 0.00 H new ATOM 30 N GLY A 4 7.153 27.031 -3.396 1.00 0.00 N ATOM 31 CA GLY A 4 5.762 27.420 -3.529 1.00 0.00 C ATOM 32 C GLY A 4 4.834 26.543 -2.712 1.00 0.00 C ATOM 33 O GLY A 4 5.056 25.339 -2.588 1.00 0.00 O ATOM 0 H GLY A 4 7.331 26.310 -2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.646 28.457 -3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.473 27.371 -4.579 1.00 0.00 H new ATOM 37 N SER A 5 3.792 27.148 -2.151 1.00 0.00 N ATOM 38 CA SER A 5 2.829 26.415 -1.337 1.00 0.00 C ATOM 39 C SER A 5 1.446 27.052 -1.425 1.00 0.00 C ATOM 40 O SER A 5 1.274 28.232 -1.121 1.00 0.00 O ATOM 41 CB SER A 5 3.291 26.371 0.121 1.00 0.00 C ATOM 42 OG SER A 5 3.457 27.678 0.643 1.00 0.00 O ATOM 0 H SER A 5 3.593 28.144 -2.245 1.00 0.00 H new ATOM 0 HA SER A 5 2.766 25.397 -1.722 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.562 25.826 0.721 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.232 25.826 0.191 1.00 0.00 H new ATOM 0 HG SER A 5 2.855 28.295 0.178 1.00 0.00 H new ATOM 48 N SER A 6 0.463 26.262 -1.843 1.00 0.00 N ATOM 49 CA SER A 6 -0.906 26.748 -1.976 1.00 0.00 C ATOM 50 C SER A 6 -1.774 26.248 -0.825 1.00 0.00 C ATOM 51 O SER A 6 -2.244 27.031 -0.001 1.00 0.00 O ATOM 52 CB SER A 6 -1.501 26.301 -3.312 1.00 0.00 C ATOM 53 OG SER A 6 -0.730 26.780 -4.400 1.00 0.00 O ATOM 0 H SER A 6 0.589 25.282 -2.096 1.00 0.00 H new ATOM 0 HA SER A 6 -0.884 27.837 -1.944 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.548 25.213 -3.347 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.524 26.667 -3.398 1.00 0.00 H new ATOM 0 HG SER A 6 -1.130 26.479 -5.242 1.00 0.00 H new ATOM 59 N GLY A 7 -1.982 24.935 -0.777 1.00 0.00 N ATOM 60 CA GLY A 7 -2.793 24.351 0.275 1.00 0.00 C ATOM 61 C GLY A 7 -3.531 23.109 -0.184 1.00 0.00 C ATOM 62 O GLY A 7 -3.612 22.121 0.546 1.00 0.00 O ATOM 0 H GLY A 7 -1.603 24.266 -1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.156 24.099 1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.514 25.089 0.626 1.00 0.00 H new ATOM 66 N SER A 8 -4.073 23.159 -1.396 1.00 0.00 N ATOM 67 CA SER A 8 -4.813 22.031 -1.950 1.00 0.00 C ATOM 68 C SER A 8 -4.085 20.718 -1.679 1.00 0.00 C ATOM 69 O SER A 8 -2.869 20.698 -1.484 1.00 0.00 O ATOM 70 CB SER A 8 -5.015 22.215 -3.455 1.00 0.00 C ATOM 71 OG SER A 8 -6.113 23.069 -3.722 1.00 0.00 O ATOM 0 H SER A 8 -4.014 23.969 -2.014 1.00 0.00 H new ATOM 0 HA SER A 8 -5.787 21.993 -1.463 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.110 22.631 -3.898 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.182 21.245 -3.924 1.00 0.00 H new ATOM 0 HG SER A 8 -6.220 23.172 -4.691 1.00 0.00 H new ATOM 77 N ASP A 9 -4.837 19.623 -1.669 1.00 0.00 N ATOM 78 CA ASP A 9 -4.264 18.304 -1.424 1.00 0.00 C ATOM 79 C ASP A 9 -4.432 17.403 -2.643 1.00 0.00 C ATOM 80 O ASP A 9 -3.577 16.565 -2.931 1.00 0.00 O ATOM 81 CB ASP A 9 -4.921 17.659 -0.203 1.00 0.00 C ATOM 82 CG ASP A 9 -4.765 18.498 1.050 1.00 0.00 C ATOM 83 OD1 ASP A 9 -3.736 19.194 1.173 1.00 0.00 O ATOM 84 OD2 ASP A 9 -5.671 18.457 1.909 1.00 0.00 O ATOM 0 H ASP A 9 -5.845 19.622 -1.828 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.198 18.428 -1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.981 17.505 -0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.482 16.676 -0.035 1.00 0.00 H new ATOM 89 N ASP A 10 -5.539 17.581 -3.355 1.00 0.00 N ATOM 90 CA ASP A 10 -5.820 16.784 -4.544 1.00 0.00 C ATOM 91 C ASP A 10 -5.774 15.294 -4.223 1.00 0.00 C ATOM 92 O ASP A 10 -5.251 14.497 -5.001 1.00 0.00 O ATOM 93 CB ASP A 10 -4.817 17.111 -5.652 1.00 0.00 C ATOM 94 CG ASP A 10 -4.548 18.598 -5.769 1.00 0.00 C ATOM 95 OD1 ASP A 10 -4.390 19.258 -4.720 1.00 0.00 O ATOM 96 OD2 ASP A 10 -4.495 19.102 -6.910 1.00 0.00 O ATOM 0 H ASP A 10 -6.257 18.270 -3.130 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.824 17.032 -4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.880 16.590 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.196 16.737 -6.603 1.00 0.00 H new ATOM 101 N ALA A 11 -6.324 14.925 -3.070 1.00 0.00 N ATOM 102 CA ALA A 11 -6.347 13.530 -2.646 1.00 0.00 C ATOM 103 C ALA A 11 -7.099 12.664 -3.650 1.00 0.00 C ATOM 104 O ALA A 11 -6.726 11.516 -3.896 1.00 0.00 O ATOM 105 CB ALA A 11 -6.975 13.409 -1.266 1.00 0.00 C ATOM 0 H ALA A 11 -6.759 15.573 -2.413 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.318 13.173 -2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.986 12.362 -0.962 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.394 13.989 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.996 13.789 -1.296 1.00 0.00 H new ATOM 111 N ARG A 12 -8.159 13.219 -4.228 1.00 0.00 N ATOM 112 CA ARG A 12 -8.965 12.495 -5.204 1.00 0.00 C ATOM 113 C ARG A 12 -8.230 12.379 -6.536 1.00 0.00 C ATOM 114 O ARG A 12 -8.707 11.726 -7.465 1.00 0.00 O ATOM 115 CB ARG A 12 -10.308 13.198 -5.410 1.00 0.00 C ATOM 116 CG ARG A 12 -11.032 13.520 -4.113 1.00 0.00 C ATOM 117 CD ARG A 12 -10.701 14.922 -3.624 1.00 0.00 C ATOM 118 NE ARG A 12 -11.802 15.512 -2.868 1.00 0.00 N ATOM 119 CZ ARG A 12 -11.747 16.715 -2.307 1.00 0.00 C ATOM 120 NH1 ARG A 12 -10.651 17.451 -2.417 1.00 0.00 N ATOM 121 NH2 ARG A 12 -12.791 17.183 -1.635 1.00 0.00 N ATOM 0 H ARG A 12 -8.480 14.168 -4.037 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.144 11.491 -4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.143 14.122 -5.964 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.948 12.567 -6.027 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.108 13.430 -4.264 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.755 12.792 -3.350 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.809 14.886 -2.998 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.466 15.558 -4.478 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.660 14.971 -2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.847 17.094 -2.933 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.611 18.374 -1.985 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.637 16.619 -1.549 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.748 18.107 -1.205 1.00 0.00 H new ATOM 135 N ARG A 13 -7.067 13.016 -6.622 1.00 0.00 N ATOM 136 CA ARG A 13 -6.267 12.985 -7.840 1.00 0.00 C ATOM 137 C ARG A 13 -5.033 12.105 -7.659 1.00 0.00 C ATOM 138 O ARG A 13 -3.907 12.539 -7.903 1.00 0.00 O ATOM 139 CB ARG A 13 -5.842 14.402 -8.233 1.00 0.00 C ATOM 140 CG ARG A 13 -6.941 15.199 -8.918 1.00 0.00 C ATOM 141 CD ARG A 13 -7.844 15.886 -7.906 1.00 0.00 C ATOM 142 NE ARG A 13 -8.968 16.563 -8.546 1.00 0.00 N ATOM 143 CZ ARG A 13 -9.618 17.585 -8.000 1.00 0.00 C ATOM 144 NH1 ARG A 13 -9.257 18.045 -6.810 1.00 0.00 N ATOM 145 NH2 ARG A 13 -10.632 18.149 -8.645 1.00 0.00 N ATOM 0 H ARG A 13 -6.658 13.560 -5.862 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.880 12.562 -8.636 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.520 14.937 -7.339 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.980 14.343 -8.897 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.495 15.946 -9.575 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.535 14.536 -9.546 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.221 15.149 -7.197 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.263 16.610 -7.334 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.271 16.233 -9.463 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.478 17.614 -6.311 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.758 18.830 -6.393 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.913 17.798 -9.561 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.130 18.934 -8.225 1.00 0.00 H new ATOM 159 N LEU A 14 -5.254 10.868 -7.230 1.00 0.00 N ATOM 160 CA LEU A 14 -4.161 9.926 -7.016 1.00 0.00 C ATOM 161 C LEU A 14 -4.532 8.536 -7.523 1.00 0.00 C ATOM 162 O LEU A 14 -5.593 8.005 -7.193 1.00 0.00 O ATOM 163 CB LEU A 14 -3.803 9.860 -5.530 1.00 0.00 C ATOM 164 CG LEU A 14 -2.768 10.874 -5.043 1.00 0.00 C ATOM 165 CD1 LEU A 14 -3.421 12.225 -4.795 1.00 0.00 C ATOM 166 CD2 LEU A 14 -2.082 10.372 -3.781 1.00 0.00 C ATOM 0 H LEU A 14 -6.180 10.494 -7.023 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.296 10.278 -7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.716 9.996 -4.951 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.432 8.859 -5.310 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.013 10.995 -5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.669 12.934 -4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.865 12.590 -5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.197 12.120 -4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.349 11.107 -3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.825 10.222 -2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.580 9.427 -3.991 1.00 0.00 H new ATOM 178 N THR A 15 -3.650 7.950 -8.327 1.00 0.00 N ATOM 179 CA THR A 15 -3.884 6.622 -8.880 1.00 0.00 C ATOM 180 C THR A 15 -2.877 5.615 -8.335 1.00 0.00 C ATOM 181 O THR A 15 -1.702 5.933 -8.154 1.00 0.00 O ATOM 182 CB THR A 15 -3.802 6.631 -10.418 1.00 0.00 C ATOM 183 OG1 THR A 15 -4.616 7.686 -10.945 1.00 0.00 O ATOM 184 CG2 THR A 15 -4.257 5.298 -10.992 1.00 0.00 C ATOM 0 H THR A 15 -2.767 8.375 -8.610 1.00 0.00 H new ATOM 0 HA THR A 15 -4.889 6.327 -8.579 1.00 0.00 H new ATOM 0 HB THR A 15 -2.763 6.796 -10.704 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.558 7.687 -11.923 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.190 5.328 -12.080 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.618 4.501 -10.611 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.289 5.108 -10.697 1.00 0.00 H new ATOM 192 N VAL A 16 -3.345 4.398 -8.077 1.00 0.00 N ATOM 193 CA VAL A 16 -2.485 3.343 -7.554 1.00 0.00 C ATOM 194 C VAL A 16 -2.092 2.360 -8.651 1.00 0.00 C ATOM 195 O VAL A 16 -2.923 1.959 -9.466 1.00 0.00 O ATOM 196 CB VAL A 16 -3.173 2.572 -6.412 1.00 0.00 C ATOM 197 CG1 VAL A 16 -2.260 1.477 -5.881 1.00 0.00 C ATOM 198 CG2 VAL A 16 -3.582 3.524 -5.298 1.00 0.00 C ATOM 0 H VAL A 16 -4.315 4.118 -8.222 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.589 3.828 -7.167 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.074 2.101 -6.805 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.763 0.943 -5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.022 0.780 -6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.340 1.922 -5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.067 2.963 -4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.698 4.025 -4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.275 4.268 -5.691 1.00 0.00 H new ATOM 208 N MET A 17 -0.820 1.977 -8.667 1.00 0.00 N ATOM 209 CA MET A 17 -0.317 1.039 -9.664 1.00 0.00 C ATOM 210 C MET A 17 0.297 -0.187 -8.996 1.00 0.00 C ATOM 211 O MET A 17 0.360 -0.271 -7.769 1.00 0.00 O ATOM 212 CB MET A 17 0.720 1.720 -10.559 1.00 0.00 C ATOM 213 CG MET A 17 0.111 2.658 -11.589 1.00 0.00 C ATOM 214 SD MET A 17 -0.938 1.798 -12.777 1.00 0.00 S ATOM 215 CE MET A 17 0.283 1.231 -13.958 1.00 0.00 C ATOM 0 H MET A 17 -0.119 2.301 -8.001 1.00 0.00 H new ATOM 0 HA MET A 17 -1.158 0.714 -10.277 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.415 2.281 -9.934 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.301 0.955 -11.074 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.476 3.421 -11.078 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.910 3.174 -12.122 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.212 0.679 -14.757 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.807 2.089 -14.380 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.999 0.579 -13.457 1.00 0.00 H new ATOM 225 N SER A 18 0.749 -1.136 -9.810 1.00 0.00 N ATOM 226 CA SER A 18 1.355 -2.359 -9.298 1.00 0.00 C ATOM 227 C SER A 18 0.669 -2.807 -8.011 1.00 0.00 C ATOM 228 O SER A 18 1.327 -3.196 -7.045 1.00 0.00 O ATOM 229 CB SER A 18 2.849 -2.146 -9.045 1.00 0.00 C ATOM 230 OG SER A 18 3.558 -2.014 -10.265 1.00 0.00 O ATOM 0 H SER A 18 0.707 -1.081 -10.828 1.00 0.00 H new ATOM 0 HA SER A 18 1.228 -3.140 -10.048 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.995 -1.253 -8.437 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.249 -2.986 -8.477 1.00 0.00 H new ATOM 0 HG SER A 18 4.510 -1.877 -10.077 1.00 0.00 H new ATOM 236 N LEU A 19 -0.659 -2.749 -8.004 1.00 0.00 N ATOM 237 CA LEU A 19 -1.436 -3.149 -6.837 1.00 0.00 C ATOM 238 C LEU A 19 -1.995 -4.557 -7.010 1.00 0.00 C ATOM 239 O LEU A 19 -2.685 -4.845 -7.988 1.00 0.00 O ATOM 240 CB LEU A 19 -2.579 -2.161 -6.598 1.00 0.00 C ATOM 241 CG LEU A 19 -3.363 -2.341 -5.298 1.00 0.00 C ATOM 242 CD1 LEU A 19 -2.646 -1.657 -4.144 1.00 0.00 C ATOM 243 CD2 LEU A 19 -4.777 -1.799 -5.447 1.00 0.00 C ATOM 0 H LEU A 19 -1.219 -2.429 -8.794 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.773 -3.145 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.169 -1.151 -6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.277 -2.235 -7.432 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.426 -3.407 -5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.218 -1.795 -3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.654 -2.093 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.551 -0.592 -4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.320 -1.936 -4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.736 -0.737 -5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.290 -2.335 -6.246 1.00 0.00 H new ATOM 255 N GLN A 20 -1.693 -5.430 -6.054 1.00 0.00 N ATOM 256 CA GLN A 20 -2.166 -6.808 -6.101 1.00 0.00 C ATOM 257 C GLN A 20 -3.605 -6.907 -5.607 1.00 0.00 C ATOM 258 O GLN A 20 -4.079 -6.042 -4.870 1.00 0.00 O ATOM 259 CB GLN A 20 -1.262 -7.709 -5.258 1.00 0.00 C ATOM 260 CG GLN A 20 -1.245 -9.158 -5.720 1.00 0.00 C ATOM 261 CD GLN A 20 -0.373 -9.371 -6.941 1.00 0.00 C ATOM 262 OE1 GLN A 20 -0.770 -9.056 -8.064 1.00 0.00 O ATOM 263 NE2 GLN A 20 0.823 -9.907 -6.729 1.00 0.00 N ATOM 0 H GLN A 20 -1.123 -5.207 -5.238 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.134 -7.141 -7.138 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.246 -7.316 -5.284 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.592 -7.671 -4.220 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.887 -9.790 -4.908 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.263 -9.475 -5.946 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.111 -10.153 -5.782 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.454 -10.073 -7.513 1.00 0.00 H new ATOM 272 N GLU A 21 -4.296 -7.965 -6.018 1.00 0.00 N ATOM 273 CA GLU A 21 -5.682 -8.175 -5.617 1.00 0.00 C ATOM 274 C GLU A 21 -5.887 -9.590 -5.084 1.00 0.00 C ATOM 275 O GLU A 21 -6.153 -9.786 -3.899 1.00 0.00 O ATOM 276 CB GLU A 21 -6.622 -7.923 -6.799 1.00 0.00 C ATOM 277 CG GLU A 21 -6.756 -6.454 -7.167 1.00 0.00 C ATOM 278 CD GLU A 21 -7.514 -6.245 -8.463 1.00 0.00 C ATOM 279 OE1 GLU A 21 -6.953 -6.556 -9.535 1.00 0.00 O ATOM 280 OE2 GLU A 21 -8.668 -5.770 -8.406 1.00 0.00 O ATOM 0 H GLU A 21 -3.919 -8.690 -6.628 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.913 -7.468 -4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.258 -8.474 -7.666 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.608 -8.320 -6.559 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.268 -5.927 -6.362 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.763 -6.013 -7.256 1.00 0.00 H new ATOM 287 N SER A 22 -5.760 -10.574 -5.970 1.00 0.00 N ATOM 288 CA SER A 22 -5.935 -11.971 -5.590 1.00 0.00 C ATOM 289 C SER A 22 -4.653 -12.762 -5.826 1.00 0.00 C ATOM 290 O SER A 22 -4.686 -13.977 -6.021 1.00 0.00 O ATOM 291 CB SER A 22 -7.086 -12.596 -6.380 1.00 0.00 C ATOM 292 OG SER A 22 -6.824 -12.567 -7.773 1.00 0.00 O ATOM 0 H SER A 22 -5.537 -10.429 -6.955 1.00 0.00 H new ATOM 0 HA SER A 22 -6.173 -12.006 -4.527 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.236 -13.626 -6.056 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.010 -12.058 -6.169 1.00 0.00 H new ATOM 0 HG SER A 22 -7.574 -12.974 -8.255 1.00 0.00 H new ATOM 298 N GLY A 23 -3.521 -12.064 -5.808 1.00 0.00 N ATOM 299 CA GLY A 23 -2.243 -12.717 -6.022 1.00 0.00 C ATOM 300 C GLY A 23 -1.221 -12.352 -4.963 1.00 0.00 C ATOM 301 O GLY A 23 -0.016 -12.401 -5.209 1.00 0.00 O ATOM 0 H GLY A 23 -3.467 -11.058 -5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.387 -13.797 -6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.858 -12.442 -7.004 1.00 0.00 H new ATOM 305 N LEU A 24 -1.703 -11.983 -3.781 1.00 0.00 N ATOM 306 CA LEU A 24 -0.823 -11.606 -2.680 1.00 0.00 C ATOM 307 C LEU A 24 -0.171 -12.837 -2.058 1.00 0.00 C ATOM 308 O LEU A 24 -0.521 -13.971 -2.386 1.00 0.00 O ATOM 309 CB LEU A 24 -1.607 -10.838 -1.615 1.00 0.00 C ATOM 310 CG LEU A 24 -1.668 -9.320 -1.791 1.00 0.00 C ATOM 311 CD1 LEU A 24 -2.345 -8.670 -0.594 1.00 0.00 C ATOM 312 CD2 LEU A 24 -0.271 -8.750 -1.991 1.00 0.00 C ATOM 0 H LEU A 24 -2.698 -11.937 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.038 -10.964 -3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.627 -11.223 -1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.166 -11.053 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.259 -9.100 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.379 -7.590 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.360 -9.055 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.782 -8.898 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.333 -7.669 -2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.344 -8.981 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.178 -9.192 -2.881 1.00 0.00 H new ATOM 324 N LYS A 25 0.778 -12.606 -1.158 1.00 0.00 N ATOM 325 CA LYS A 25 1.478 -13.695 -0.486 1.00 0.00 C ATOM 326 C LYS A 25 1.594 -13.426 1.010 1.00 0.00 C ATOM 327 O LYS A 25 1.919 -12.314 1.428 1.00 0.00 O ATOM 328 CB LYS A 25 2.871 -13.884 -1.091 1.00 0.00 C ATOM 329 CG LYS A 25 2.850 -14.445 -2.503 1.00 0.00 C ATOM 330 CD LYS A 25 4.217 -14.962 -2.917 1.00 0.00 C ATOM 331 CE LYS A 25 4.172 -15.621 -4.287 1.00 0.00 C ATOM 332 NZ LYS A 25 3.820 -17.065 -4.198 1.00 0.00 N ATOM 0 H LYS A 25 1.081 -11.674 -0.876 1.00 0.00 H new ATOM 0 HA LYS A 25 0.900 -14.608 -0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.388 -12.925 -1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.448 -14.553 -0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.121 -15.253 -2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.527 -13.671 -3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.930 -14.138 -2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.575 -15.679 -2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.442 -15.107 -4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.141 -15.513 -4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.800 -17.477 -5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.530 -17.561 -3.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.884 -17.168 -3.757 1.00 0.00 H new ATOM 346 N VAL A 26 1.329 -14.451 1.814 1.00 0.00 N ATOM 347 CA VAL A 26 1.406 -14.326 3.264 1.00 0.00 C ATOM 348 C VAL A 26 2.847 -14.440 3.750 1.00 0.00 C ATOM 349 O VAL A 26 3.668 -15.118 3.134 1.00 0.00 O ATOM 350 CB VAL A 26 0.553 -15.398 3.967 1.00 0.00 C ATOM 351 CG1 VAL A 26 -0.929 -15.098 3.797 1.00 0.00 C ATOM 352 CG2 VAL A 26 0.889 -16.782 3.432 1.00 0.00 C ATOM 0 H VAL A 26 1.059 -15.378 1.485 1.00 0.00 H new ATOM 0 HA VAL A 26 1.017 -13.340 3.517 1.00 0.00 H new ATOM 0 HB VAL A 26 0.784 -15.379 5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.516 -15.866 4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.156 -14.125 4.233 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.179 -15.088 2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.277 -17.527 3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.689 -16.817 2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.943 -16.995 3.611 1.00 0.00 H new ATOM 362 N ASN A 27 3.147 -13.772 4.859 1.00 0.00 N ATOM 363 CA ASN A 27 4.490 -13.799 5.428 1.00 0.00 C ATOM 364 C ASN A 27 5.531 -13.410 4.383 1.00 0.00 C ATOM 365 O ASN A 27 6.606 -14.005 4.313 1.00 0.00 O ATOM 366 CB ASN A 27 4.803 -15.189 5.983 1.00 0.00 C ATOM 367 CG ASN A 27 3.662 -15.753 6.808 1.00 0.00 C ATOM 368 OD1 ASN A 27 3.137 -15.086 7.700 1.00 0.00 O ATOM 369 ND2 ASN A 27 3.272 -16.988 6.512 1.00 0.00 N ATOM 0 H ASN A 27 2.479 -13.206 5.382 1.00 0.00 H new ATOM 0 HA ASN A 27 4.528 -13.074 6.241 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.020 -15.866 5.157 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.702 -15.138 6.598 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.509 -17.420 7.032 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.736 -17.504 5.764 1.00 0.00 H new ATOM 376 N GLN A 28 5.204 -12.408 3.573 1.00 0.00 N ATOM 377 CA GLN A 28 6.111 -11.940 2.532 1.00 0.00 C ATOM 378 C GLN A 28 5.962 -10.438 2.315 1.00 0.00 C ATOM 379 O GLN A 28 4.862 -9.885 2.360 1.00 0.00 O ATOM 380 CB GLN A 28 5.846 -12.685 1.223 1.00 0.00 C ATOM 381 CG GLN A 28 6.596 -14.003 1.110 1.00 0.00 C ATOM 382 CD GLN A 28 6.883 -14.390 -0.327 1.00 0.00 C ATOM 383 OE1 GLN A 28 6.532 -13.666 -1.259 1.00 0.00 O ATOM 384 NE2 GLN A 28 7.524 -15.538 -0.514 1.00 0.00 N ATOM 0 H GLN A 28 4.318 -11.905 3.618 1.00 0.00 H new ATOM 0 HA GLN A 28 7.132 -12.142 2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.777 -12.876 1.134 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.126 -12.044 0.387 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.536 -13.930 1.657 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.011 -14.791 1.585 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.796 -16.107 0.288 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.744 -15.851 -1.459 1.00 0.00 H new ATOM 393 N PRO A 29 7.093 -9.759 2.073 1.00 0.00 N ATOM 394 CA PRO A 29 7.114 -8.311 1.844 1.00 0.00 C ATOM 395 C PRO A 29 6.482 -7.926 0.510 1.00 0.00 C ATOM 396 O PRO A 29 7.009 -8.250 -0.553 1.00 0.00 O ATOM 397 CB PRO A 29 8.607 -7.974 1.846 1.00 0.00 C ATOM 398 CG PRO A 29 9.282 -9.240 1.447 1.00 0.00 C ATOM 399 CD PRO A 29 8.439 -10.353 2.004 1.00 0.00 C ATOM 0 HA PRO A 29 6.540 -7.770 2.597 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.832 -7.168 1.147 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.937 -7.643 2.831 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.360 -9.315 0.362 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.296 -9.283 1.844 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.458 -11.232 1.360 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.789 -10.670 2.986 1.00 0.00 H new ATOM 407 N ALA A 30 5.351 -7.233 0.575 1.00 0.00 N ATOM 408 CA ALA A 30 4.649 -6.802 -0.627 1.00 0.00 C ATOM 409 C ALA A 30 4.534 -5.282 -0.681 1.00 0.00 C ATOM 410 O ALA A 30 3.957 -4.662 0.213 1.00 0.00 O ATOM 411 CB ALA A 30 3.269 -7.440 -0.691 1.00 0.00 C ATOM 0 H ALA A 30 4.901 -6.958 1.448 1.00 0.00 H new ATOM 0 HA ALA A 30 5.228 -7.128 -1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.757 -7.109 -1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.370 -8.525 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.690 -7.144 0.184 1.00 0.00 H new ATOM 417 N SER A 31 5.086 -4.687 -1.733 1.00 0.00 N ATOM 418 CA SER A 31 5.049 -3.239 -1.900 1.00 0.00 C ATOM 419 C SER A 31 4.413 -2.863 -3.235 1.00 0.00 C ATOM 420 O SER A 31 4.509 -3.605 -4.213 1.00 0.00 O ATOM 421 CB SER A 31 6.462 -2.658 -1.813 1.00 0.00 C ATOM 422 OG SER A 31 7.215 -2.974 -2.972 1.00 0.00 O ATOM 0 H SER A 31 5.565 -5.186 -2.483 1.00 0.00 H new ATOM 0 HA SER A 31 4.442 -2.820 -1.097 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.407 -1.576 -1.695 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.966 -3.050 -0.930 1.00 0.00 H new ATOM 0 HG SER A 31 8.113 -2.590 -2.893 1.00 0.00 H new ATOM 428 N PHE A 32 3.763 -1.704 -3.267 1.00 0.00 N ATOM 429 CA PHE A 32 3.110 -1.227 -4.481 1.00 0.00 C ATOM 430 C PHE A 32 3.608 0.165 -4.855 1.00 0.00 C ATOM 431 O PHE A 32 4.251 0.843 -4.054 1.00 0.00 O ATOM 432 CB PHE A 32 1.592 -1.205 -4.293 1.00 0.00 C ATOM 433 CG PHE A 32 1.145 -0.383 -3.118 1.00 0.00 C ATOM 434 CD1 PHE A 32 1.240 0.999 -3.147 1.00 0.00 C ATOM 435 CD2 PHE A 32 0.630 -0.992 -1.985 1.00 0.00 C ATOM 436 CE1 PHE A 32 0.830 1.759 -2.067 1.00 0.00 C ATOM 437 CE2 PHE A 32 0.218 -0.238 -0.903 1.00 0.00 C ATOM 438 CZ PHE A 32 0.319 1.139 -0.944 1.00 0.00 C ATOM 0 H PHE A 32 3.674 -1.078 -2.467 1.00 0.00 H new ATOM 0 HA PHE A 32 3.359 -1.912 -5.291 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.128 -0.813 -5.198 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.235 -2.227 -4.168 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.639 1.488 -4.023 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.550 -2.068 -1.947 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.909 2.836 -2.102 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.183 -0.725 -0.026 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.001 1.730 -0.099 1.00 0.00 H new ATOM 448 N ALA A 33 3.305 0.586 -6.079 1.00 0.00 N ATOM 449 CA ALA A 33 3.720 1.898 -6.561 1.00 0.00 C ATOM 450 C ALA A 33 2.535 2.854 -6.638 1.00 0.00 C ATOM 451 O ALA A 33 1.436 2.465 -7.035 1.00 0.00 O ATOM 452 CB ALA A 33 4.390 1.773 -7.921 1.00 0.00 C ATOM 0 H ALA A 33 2.774 0.037 -6.755 1.00 0.00 H new ATOM 0 HA ALA A 33 4.438 2.308 -5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.695 2.760 -8.269 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.267 1.131 -7.837 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.689 1.338 -8.633 1.00 0.00 H new ATOM 458 N ILE A 34 2.764 4.106 -6.256 1.00 0.00 N ATOM 459 CA ILE A 34 1.715 5.117 -6.283 1.00 0.00 C ATOM 460 C ILE A 34 1.977 6.152 -7.372 1.00 0.00 C ATOM 461 O ILE A 34 3.123 6.513 -7.636 1.00 0.00 O ATOM 462 CB ILE A 34 1.591 5.836 -4.926 1.00 0.00 C ATOM 463 CG1 ILE A 34 1.256 4.832 -3.821 1.00 0.00 C ATOM 464 CG2 ILE A 34 0.531 6.925 -4.999 1.00 0.00 C ATOM 465 CD1 ILE A 34 1.325 5.420 -2.429 1.00 0.00 C ATOM 0 H ILE A 34 3.667 4.444 -5.924 1.00 0.00 H new ATOM 0 HA ILE A 34 0.781 4.597 -6.496 1.00 0.00 H new ATOM 0 HB ILE A 34 2.547 6.302 -4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.254 4.438 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.945 3.990 -3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.455 7.424 -4.033 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.808 7.652 -5.762 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.431 6.480 -5.254 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.076 4.652 -1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.333 5.789 -2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.616 6.244 -2.346 1.00 0.00 H new ATOM 477 N ARG A 35 0.905 6.626 -7.999 1.00 0.00 N ATOM 478 CA ARG A 35 1.019 7.620 -9.059 1.00 0.00 C ATOM 479 C ARG A 35 0.405 8.949 -8.627 1.00 0.00 C ATOM 480 O ARG A 35 -0.688 8.984 -8.060 1.00 0.00 O ATOM 481 CB ARG A 35 0.333 7.120 -10.332 1.00 0.00 C ATOM 482 CG ARG A 35 -0.191 8.236 -11.221 1.00 0.00 C ATOM 483 CD ARG A 35 -0.179 7.833 -12.687 1.00 0.00 C ATOM 484 NE ARG A 35 -0.862 8.811 -13.529 1.00 0.00 N ATOM 485 CZ ARG A 35 -1.149 8.605 -14.810 1.00 0.00 C ATOM 486 NH1 ARG A 35 -0.814 7.463 -15.392 1.00 0.00 N ATOM 487 NH2 ARG A 35 -1.774 9.544 -15.510 1.00 0.00 N ATOM 0 H ARG A 35 -0.051 6.338 -7.791 1.00 0.00 H new ATOM 0 HA ARG A 35 2.078 7.777 -9.262 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.039 6.515 -10.901 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.496 6.468 -10.056 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.207 8.494 -10.922 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.419 9.129 -11.083 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.852 7.722 -13.024 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.658 6.860 -12.800 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.134 9.701 -13.111 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.335 6.739 -14.857 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.036 7.308 -16.375 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.034 10.424 -15.065 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.994 9.386 -16.493 1.00 0.00 H new ATOM 501 N LEU A 36 1.115 10.038 -8.897 1.00 0.00 N ATOM 502 CA LEU A 36 0.641 11.370 -8.536 1.00 0.00 C ATOM 503 C LEU A 36 0.332 12.194 -9.781 1.00 0.00 C ATOM 504 O LEU A 36 1.214 12.457 -10.598 1.00 0.00 O ATOM 505 CB LEU A 36 1.684 12.089 -7.679 1.00 0.00 C ATOM 506 CG LEU A 36 2.093 11.383 -6.386 1.00 0.00 C ATOM 507 CD1 LEU A 36 3.311 12.057 -5.772 1.00 0.00 C ATOM 508 CD2 LEU A 36 0.936 11.367 -5.398 1.00 0.00 C ATOM 0 H LEU A 36 2.021 10.026 -9.365 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.278 11.258 -7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.578 12.243 -8.283 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.298 13.076 -7.424 1.00 0.00 H new ATOM 0 HG LEU A 36 2.355 10.352 -6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.588 11.541 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.143 12.016 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.077 13.098 -5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.245 10.861 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.643 12.391 -5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.090 10.838 -5.837 1.00 0.00 H new ATOM 520 N ASN A 37 -0.925 12.602 -9.918 1.00 0.00 N ATOM 521 CA ASN A 37 -1.350 13.399 -11.063 1.00 0.00 C ATOM 522 C ASN A 37 -1.095 14.883 -10.818 1.00 0.00 C ATOM 523 O ASN A 37 -1.712 15.742 -11.447 1.00 0.00 O ATOM 524 CB ASN A 37 -2.835 13.166 -11.351 1.00 0.00 C ATOM 525 CG ASN A 37 -3.083 11.866 -12.093 1.00 0.00 C ATOM 526 OD1 ASN A 37 -3.100 11.835 -13.323 1.00 0.00 O ATOM 527 ND2 ASN A 37 -3.276 10.786 -11.345 1.00 0.00 N ATOM 0 H ASN A 37 -1.667 12.394 -9.250 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.766 13.086 -11.928 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.387 13.156 -10.411 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.223 13.997 -11.940 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.447 9.883 -11.788 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.253 10.859 -10.328 1.00 0.00 H new ATOM 534 N GLY A 38 -0.181 15.177 -9.898 1.00 0.00 N ATOM 535 CA GLY A 38 0.139 16.557 -9.586 1.00 0.00 C ATOM 536 C GLY A 38 -0.324 16.961 -8.200 1.00 0.00 C ATOM 537 O GLY A 38 -0.690 18.114 -7.972 1.00 0.00 O ATOM 0 H GLY A 38 0.343 14.484 -9.364 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.216 16.703 -9.663 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.325 17.210 -10.325 1.00 0.00 H new ATOM 541 N ALA A 39 -0.310 16.009 -7.273 1.00 0.00 N ATOM 542 CA ALA A 39 -0.732 16.272 -5.902 1.00 0.00 C ATOM 543 C ALA A 39 0.469 16.371 -4.968 1.00 0.00 C ATOM 544 O ALA A 39 1.368 15.531 -5.004 1.00 0.00 O ATOM 545 CB ALA A 39 -1.685 15.186 -5.426 1.00 0.00 C ATOM 0 H ALA A 39 -0.011 15.049 -7.446 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.252 17.230 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.992 15.395 -4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.564 15.165 -6.071 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.183 14.219 -5.464 1.00 0.00 H new ATOM 551 N LYS A 40 0.478 17.403 -4.131 1.00 0.00 N ATOM 552 CA LYS A 40 1.568 17.613 -3.186 1.00 0.00 C ATOM 553 C LYS A 40 1.038 17.717 -1.759 1.00 0.00 C ATOM 554 O LYS A 40 0.194 18.560 -1.460 1.00 0.00 O ATOM 555 CB LYS A 40 2.346 18.881 -3.546 1.00 0.00 C ATOM 556 CG LYS A 40 1.493 20.137 -3.549 1.00 0.00 C ATOM 557 CD LYS A 40 2.114 21.230 -4.403 1.00 0.00 C ATOM 558 CE LYS A 40 3.205 21.974 -3.649 1.00 0.00 C ATOM 559 NZ LYS A 40 2.644 23.007 -2.735 1.00 0.00 N ATOM 0 H LYS A 40 -0.258 18.108 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 40 2.237 16.755 -3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.164 19.009 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.795 18.754 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.498 19.901 -3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.370 20.497 -2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.531 20.792 -5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.341 21.933 -4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.797 21.263 -3.073 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.880 22.448 -4.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.398 23.372 -2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.246 23.787 -3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.895 22.584 -2.151 1.00 0.00 H new ATOM 573 N GLY A 41 1.542 16.854 -0.881 1.00 0.00 N ATOM 574 CA GLY A 41 1.108 16.867 0.504 1.00 0.00 C ATOM 575 C GLY A 41 1.743 15.758 1.320 1.00 0.00 C ATOM 576 O GLY A 41 2.854 15.318 1.026 1.00 0.00 O ATOM 0 H GLY A 41 2.242 16.147 -1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.356 17.830 0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.023 16.767 0.543 1.00 0.00 H new ATOM 580 N LYS A 42 1.036 15.306 2.351 1.00 0.00 N ATOM 581 CA LYS A 42 1.536 14.242 3.214 1.00 0.00 C ATOM 582 C LYS A 42 0.902 12.903 2.850 1.00 0.00 C ATOM 583 O LYS A 42 -0.321 12.760 2.869 1.00 0.00 O ATOM 584 CB LYS A 42 1.251 14.571 4.681 1.00 0.00 C ATOM 585 CG LYS A 42 2.107 13.784 5.658 1.00 0.00 C ATOM 586 CD LYS A 42 1.741 14.100 7.099 1.00 0.00 C ATOM 587 CE LYS A 42 2.928 13.905 8.030 1.00 0.00 C ATOM 588 NZ LYS A 42 3.904 15.026 7.927 1.00 0.00 N ATOM 0 H LYS A 42 0.115 15.660 2.609 1.00 0.00 H new ATOM 0 HA LYS A 42 2.613 14.166 3.068 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.414 15.636 4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.200 14.374 4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.982 12.717 5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.159 14.015 5.490 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.387 15.129 7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.919 13.458 7.416 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.574 13.825 9.058 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.427 12.966 7.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.858 14.677 8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.891 15.410 6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.645 15.775 8.600 1.00 0.00 H new ATOM 602 N ILE A 43 1.741 11.927 2.520 1.00 0.00 N ATOM 603 CA ILE A 43 1.262 10.600 2.154 1.00 0.00 C ATOM 604 C ILE A 43 1.368 9.634 3.330 1.00 0.00 C ATOM 605 O ILE A 43 2.440 9.463 3.910 1.00 0.00 O ATOM 606 CB ILE A 43 2.048 10.027 0.960 1.00 0.00 C ATOM 607 CG1 ILE A 43 1.930 10.955 -0.250 1.00 0.00 C ATOM 608 CG2 ILE A 43 1.546 8.632 0.616 1.00 0.00 C ATOM 609 CD1 ILE A 43 2.921 10.644 -1.349 1.00 0.00 C ATOM 0 H ILE A 43 2.756 12.030 2.499 1.00 0.00 H new ATOM 0 HA ILE A 43 0.215 10.709 1.870 1.00 0.00 H new ATOM 0 HB ILE A 43 3.100 9.956 1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.920 10.886 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.074 11.985 0.077 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.111 8.240 -0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.678 7.975 1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.489 8.680 0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.779 11.341 -2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.935 10.741 -0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.763 9.625 -1.703 1.00 0.00 H new ATOM 621 N ASP A 44 0.250 9.005 3.673 1.00 0.00 N ATOM 622 CA ASP A 44 0.217 8.053 4.778 1.00 0.00 C ATOM 623 C ASP A 44 -0.507 6.774 4.371 1.00 0.00 C ATOM 624 O ASP A 44 -1.618 6.818 3.845 1.00 0.00 O ATOM 625 CB ASP A 44 -0.466 8.676 5.996 1.00 0.00 C ATOM 626 CG ASP A 44 0.509 9.412 6.894 1.00 0.00 C ATOM 627 OD1 ASP A 44 1.619 8.887 7.120 1.00 0.00 O ATOM 628 OD2 ASP A 44 0.162 10.513 7.370 1.00 0.00 O ATOM 0 H ASP A 44 -0.645 9.137 3.203 1.00 0.00 H new ATOM 0 HA ASP A 44 1.245 7.800 5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.239 9.367 5.661 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.964 7.894 6.569 1.00 0.00 H new ATOM 633 N ALA A 45 0.131 5.634 4.619 1.00 0.00 N ATOM 634 CA ALA A 45 -0.453 4.342 4.280 1.00 0.00 C ATOM 635 C ALA A 45 -0.268 3.341 5.415 1.00 0.00 C ATOM 636 O ALA A 45 0.808 3.249 6.006 1.00 0.00 O ATOM 637 CB ALA A 45 0.161 3.807 2.995 1.00 0.00 C ATOM 0 H ALA A 45 1.052 5.579 5.053 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.523 4.483 4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.284 2.842 2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.029 4.508 2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.236 3.688 3.128 1.00 0.00 H new ATOM 643 N LYS A 46 -1.324 2.593 5.716 1.00 0.00 N ATOM 644 CA LYS A 46 -1.278 1.597 6.780 1.00 0.00 C ATOM 645 C LYS A 46 -2.120 0.377 6.420 1.00 0.00 C ATOM 646 O LYS A 46 -2.997 0.447 5.559 1.00 0.00 O ATOM 647 CB LYS A 46 -1.775 2.202 8.095 1.00 0.00 C ATOM 648 CG LYS A 46 -0.807 3.197 8.710 1.00 0.00 C ATOM 649 CD LYS A 46 -0.960 3.262 10.221 1.00 0.00 C ATOM 650 CE LYS A 46 -0.492 4.601 10.771 1.00 0.00 C ATOM 651 NZ LYS A 46 -1.447 5.698 10.447 1.00 0.00 N ATOM 0 H LYS A 46 -2.223 2.658 5.238 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.242 1.279 6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.730 2.698 7.919 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.959 1.399 8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.215 2.915 8.459 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.979 4.185 8.283 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.004 3.102 10.489 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.386 2.458 10.681 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.375 4.529 11.852 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.489 4.840 10.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.259 6.515 11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.328 5.979 9.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.421 5.367 10.599 1.00 0.00 H new ATOM 665 N VAL A 47 -1.847 -0.742 7.085 1.00 0.00 N ATOM 666 CA VAL A 47 -2.581 -1.977 6.836 1.00 0.00 C ATOM 667 C VAL A 47 -3.566 -2.267 7.963 1.00 0.00 C ATOM 668 O VAL A 47 -3.177 -2.396 9.124 1.00 0.00 O ATOM 669 CB VAL A 47 -1.626 -3.176 6.682 1.00 0.00 C ATOM 670 CG1 VAL A 47 -1.026 -3.557 8.027 1.00 0.00 C ATOM 671 CG2 VAL A 47 -2.352 -4.358 6.058 1.00 0.00 C ATOM 0 H VAL A 47 -1.123 -0.818 7.800 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.130 -1.837 5.905 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.812 -2.887 6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.354 -4.406 7.898 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.469 -2.711 8.430 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.824 -3.828 8.718 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.663 -5.196 5.957 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.187 -4.650 6.695 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.728 -4.076 5.074 1.00 0.00 H new ATOM 681 N HIS A 48 -4.844 -2.369 7.613 1.00 0.00 N ATOM 682 CA HIS A 48 -5.886 -2.646 8.595 1.00 0.00 C ATOM 683 C HIS A 48 -6.127 -4.147 8.724 1.00 0.00 C ATOM 684 O HIS A 48 -5.869 -4.909 7.792 1.00 0.00 O ATOM 685 CB HIS A 48 -7.185 -1.941 8.204 1.00 0.00 C ATOM 686 CG HIS A 48 -7.289 -0.541 8.728 1.00 0.00 C ATOM 687 ND1 HIS A 48 -7.858 -0.234 9.945 1.00 0.00 N ATOM 688 CD2 HIS A 48 -6.890 0.636 8.192 1.00 0.00 C ATOM 689 CE1 HIS A 48 -7.807 1.073 10.135 1.00 0.00 C ATOM 690 NE2 HIS A 48 -7.223 1.624 9.086 1.00 0.00 N ATOM 0 H HIS A 48 -5.183 -2.264 6.657 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.551 -2.266 9.560 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.264 -1.920 7.117 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.030 -2.522 8.574 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.401 0.773 7.239 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.179 1.601 11.001 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -7.048 2.621 8.960 1.00 0.00 H new ATOM 698 N SER A 49 -6.621 -4.564 9.885 1.00 0.00 N ATOM 699 CA SER A 49 -6.892 -5.975 10.137 1.00 0.00 C ATOM 700 C SER A 49 -8.195 -6.147 10.913 1.00 0.00 C ATOM 701 O SER A 49 -8.610 -5.279 11.681 1.00 0.00 O ATOM 702 CB SER A 49 -5.736 -6.607 10.914 1.00 0.00 C ATOM 703 OG SER A 49 -4.525 -6.528 10.181 1.00 0.00 O ATOM 0 H SER A 49 -6.842 -3.946 10.666 1.00 0.00 H new ATOM 0 HA SER A 49 -6.992 -6.478 9.175 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.618 -6.101 11.872 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.966 -7.650 11.130 1.00 0.00 H new ATOM 0 HG SER A 49 -4.338 -7.395 9.764 1.00 0.00 H new ATOM 709 N PRO A 50 -8.856 -7.296 10.708 1.00 0.00 N ATOM 710 CA PRO A 50 -10.121 -7.611 11.379 1.00 0.00 C ATOM 711 C PRO A 50 -9.938 -7.869 12.871 1.00 0.00 C ATOM 712 O PRO A 50 -10.911 -7.942 13.622 1.00 0.00 O ATOM 713 CB PRO A 50 -10.591 -8.884 10.670 1.00 0.00 C ATOM 714 CG PRO A 50 -9.343 -9.512 10.153 1.00 0.00 C ATOM 715 CD PRO A 50 -8.420 -8.376 9.807 1.00 0.00 C ATOM 0 HA PRO A 50 -10.831 -6.786 11.319 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.114 -9.550 11.357 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.283 -8.654 9.860 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.895 -10.164 10.903 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.550 -10.127 9.277 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.376 -8.641 9.974 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.512 -8.088 8.760 1.00 0.00 H new ATOM 723 N SER A 51 -8.685 -8.005 13.294 1.00 0.00 N ATOM 724 CA SER A 51 -8.375 -8.257 14.696 1.00 0.00 C ATOM 725 C SER A 51 -8.087 -6.953 15.432 1.00 0.00 C ATOM 726 O SER A 51 -7.474 -6.951 16.498 1.00 0.00 O ATOM 727 CB SER A 51 -7.174 -9.198 14.813 1.00 0.00 C ATOM 728 OG SER A 51 -7.191 -9.896 16.046 1.00 0.00 O ATOM 0 H SER A 51 -7.868 -7.945 12.686 1.00 0.00 H new ATOM 0 HA SER A 51 -9.244 -8.729 15.155 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.185 -9.910 13.988 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.250 -8.626 14.728 1.00 0.00 H new ATOM 0 HG SER A 51 -7.291 -9.257 16.782 1.00 0.00 H new ATOM 734 N GLY A 52 -8.536 -5.842 14.854 1.00 0.00 N ATOM 735 CA GLY A 52 -8.317 -4.546 15.468 1.00 0.00 C ATOM 736 C GLY A 52 -6.852 -4.159 15.501 1.00 0.00 C ATOM 737 O GLY A 52 -6.415 -3.434 16.393 1.00 0.00 O ATOM 0 H GLY A 52 -9.047 -5.817 13.972 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.877 -3.789 14.920 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.709 -4.559 16.485 1.00 0.00 H new ATOM 741 N ALA A 53 -6.091 -4.647 14.526 1.00 0.00 N ATOM 742 CA ALA A 53 -4.667 -4.348 14.447 1.00 0.00 C ATOM 743 C ALA A 53 -4.341 -3.556 13.185 1.00 0.00 C ATOM 744 O ALA A 53 -4.836 -3.865 12.101 1.00 0.00 O ATOM 745 CB ALA A 53 -3.855 -5.634 14.490 1.00 0.00 C ATOM 0 H ALA A 53 -6.437 -5.251 13.780 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.401 -3.734 15.308 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.793 -5.396 14.430 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.057 -6.161 15.423 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.133 -6.268 13.648 1.00 0.00 H new ATOM 751 N VAL A 54 -3.507 -2.532 13.333 1.00 0.00 N ATOM 752 CA VAL A 54 -3.115 -1.696 12.205 1.00 0.00 C ATOM 753 C VAL A 54 -1.603 -1.506 12.161 1.00 0.00 C ATOM 754 O VAL A 54 -1.027 -0.837 13.018 1.00 0.00 O ATOM 755 CB VAL A 54 -3.793 -0.314 12.268 1.00 0.00 C ATOM 756 CG1 VAL A 54 -3.328 0.562 11.115 1.00 0.00 C ATOM 757 CG2 VAL A 54 -5.307 -0.464 12.259 1.00 0.00 C ATOM 0 H VAL A 54 -3.090 -2.261 14.223 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.440 -2.211 11.301 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.504 0.172 13.200 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.818 1.534 11.176 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.248 0.696 11.172 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.585 0.085 10.169 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.771 0.521 12.304 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.617 -0.969 11.344 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.620 -1.052 13.122 1.00 0.00 H new ATOM 767 N GLU A 55 -0.966 -2.098 11.155 1.00 0.00 N ATOM 768 CA GLU A 55 0.480 -1.994 11.000 1.00 0.00 C ATOM 769 C GLU A 55 0.860 -0.688 10.309 1.00 0.00 C ATOM 770 O GLU A 55 -0.001 0.033 9.805 1.00 0.00 O ATOM 771 CB GLU A 55 1.016 -3.182 10.199 1.00 0.00 C ATOM 772 CG GLU A 55 2.429 -3.588 10.584 1.00 0.00 C ATOM 773 CD GLU A 55 2.595 -3.775 12.079 1.00 0.00 C ATOM 774 OE1 GLU A 55 1.709 -4.398 12.701 1.00 0.00 O ATOM 775 OE2 GLU A 55 3.610 -3.298 12.628 1.00 0.00 O ATOM 0 H GLU A 55 -1.429 -2.654 10.436 1.00 0.00 H new ATOM 0 HA GLU A 55 0.928 -2.003 11.994 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.351 -4.034 10.340 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.995 -2.933 9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.688 -4.516 10.075 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.129 -2.828 10.237 1.00 0.00 H new ATOM 782 N GLU A 56 2.155 -0.390 10.290 1.00 0.00 N ATOM 783 CA GLU A 56 2.649 0.830 9.662 1.00 0.00 C ATOM 784 C GLU A 56 3.424 0.511 8.387 1.00 0.00 C ATOM 785 O GLU A 56 4.401 -0.238 8.413 1.00 0.00 O ATOM 786 CB GLU A 56 3.542 1.605 10.634 1.00 0.00 C ATOM 787 CG GLU A 56 3.629 3.090 10.328 1.00 0.00 C ATOM 788 CD GLU A 56 4.383 3.379 9.045 1.00 0.00 C ATOM 789 OE1 GLU A 56 5.578 3.024 8.965 1.00 0.00 O ATOM 790 OE2 GLU A 56 3.777 3.960 8.120 1.00 0.00 O ATOM 0 H GLU A 56 2.881 -0.976 10.702 1.00 0.00 H new ATOM 0 HA GLU A 56 1.789 1.446 9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.162 1.473 11.647 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.545 1.179 10.612 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.622 3.501 10.254 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.121 3.599 11.157 1.00 0.00 H new ATOM 797 N CYS A 57 2.980 1.083 7.273 1.00 0.00 N ATOM 798 CA CYS A 57 3.630 0.859 5.987 1.00 0.00 C ATOM 799 C CYS A 57 4.792 1.826 5.789 1.00 0.00 C ATOM 800 O CYS A 57 4.661 3.028 6.025 1.00 0.00 O ATOM 801 CB CYS A 57 2.621 1.016 4.848 1.00 0.00 C ATOM 802 SG CYS A 57 1.214 -0.115 4.948 1.00 0.00 S ATOM 0 H CYS A 57 2.173 1.705 7.235 1.00 0.00 H new ATOM 0 HA CYS A 57 4.022 -0.158 5.979 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.250 2.041 4.844 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.133 0.859 3.899 1.00 0.00 H new ATOM 0 HG CYS A 57 0.416 0.095 3.944 1.00 0.00 H new ATOM 808 N HIS A 58 5.931 1.294 5.357 1.00 0.00 N ATOM 809 CA HIS A 58 7.118 2.110 5.128 1.00 0.00 C ATOM 810 C HIS A 58 6.988 2.908 3.834 1.00 0.00 C ATOM 811 O HIS A 58 7.180 2.374 2.742 1.00 0.00 O ATOM 812 CB HIS A 58 8.366 1.229 5.074 1.00 0.00 C ATOM 813 CG HIS A 58 9.624 1.948 5.454 1.00 0.00 C ATOM 814 ND1 HIS A 58 10.152 2.983 4.712 1.00 0.00 N ATOM 815 CD2 HIS A 58 10.459 1.776 6.505 1.00 0.00 C ATOM 816 CE1 HIS A 58 11.258 3.416 5.289 1.00 0.00 C ATOM 817 NE2 HIS A 58 11.466 2.701 6.380 1.00 0.00 N ATOM 0 H HIS A 58 6.057 0.301 5.159 1.00 0.00 H new ATOM 0 HA HIS A 58 7.212 2.810 5.958 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.229 0.377 5.740 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.476 0.830 4.066 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.353 1.047 7.295 1.00 0.00 H new ATOM 0 HE1 HIS A 58 11.886 4.218 4.930 1.00 0.00 H new ATOM 0 HE2 HIS A 58 12.248 2.817 7.025 1.00 0.00 H new ATOM 825 N VAL A 59 6.660 4.190 3.965 1.00 0.00 N ATOM 826 CA VAL A 59 6.504 5.061 2.807 1.00 0.00 C ATOM 827 C VAL A 59 7.786 5.839 2.528 1.00 0.00 C ATOM 828 O VAL A 59 8.140 6.756 3.268 1.00 0.00 O ATOM 829 CB VAL A 59 5.346 6.057 3.005 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.094 6.845 1.729 1.00 0.00 C ATOM 831 CG2 VAL A 59 4.086 5.327 3.448 1.00 0.00 C ATOM 0 H VAL A 59 6.497 4.648 4.862 1.00 0.00 H new ATOM 0 HA VAL A 59 6.279 4.418 1.956 1.00 0.00 H new ATOM 0 HB VAL A 59 5.626 6.761 3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.272 7.543 1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.993 7.399 1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.835 6.159 0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.278 6.046 3.583 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.801 4.599 2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.276 4.813 4.390 1.00 0.00 H new ATOM 841 N SER A 60 8.476 5.465 1.456 1.00 0.00 N ATOM 842 CA SER A 60 9.721 6.125 1.081 1.00 0.00 C ATOM 843 C SER A 60 9.533 6.964 -0.180 1.00 0.00 C ATOM 844 O SER A 60 8.986 6.492 -1.176 1.00 0.00 O ATOM 845 CB SER A 60 10.825 5.089 0.857 1.00 0.00 C ATOM 846 OG SER A 60 12.100 5.631 1.155 1.00 0.00 O ATOM 0 H SER A 60 8.194 4.709 0.832 1.00 0.00 H new ATOM 0 HA SER A 60 10.013 6.786 1.897 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.642 4.216 1.484 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.804 4.748 -0.178 1.00 0.00 H new ATOM 0 HG SER A 60 12.788 4.949 1.006 1.00 0.00 H new ATOM 852 N GLU A 61 9.990 8.211 -0.127 1.00 0.00 N ATOM 853 CA GLU A 61 9.871 9.116 -1.263 1.00 0.00 C ATOM 854 C GLU A 61 11.046 8.944 -2.222 1.00 0.00 C ATOM 855 O GLU A 61 12.147 9.435 -1.967 1.00 0.00 O ATOM 856 CB GLU A 61 9.799 10.567 -0.783 1.00 0.00 C ATOM 857 CG GLU A 61 9.831 11.585 -1.911 1.00 0.00 C ATOM 858 CD GLU A 61 9.782 13.014 -1.409 1.00 0.00 C ATOM 859 OE1 GLU A 61 10.216 13.257 -0.264 1.00 0.00 O ATOM 860 OE2 GLU A 61 9.308 13.891 -2.162 1.00 0.00 O ATOM 0 H GLU A 61 10.446 8.617 0.690 1.00 0.00 H new ATOM 0 HA GLU A 61 8.952 8.871 -1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.884 10.705 -0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.633 10.759 -0.108 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.737 11.441 -2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.987 11.409 -2.578 1.00 0.00 H new ATOM 867 N LEU A 62 10.804 8.243 -3.324 1.00 0.00 N ATOM 868 CA LEU A 62 11.842 8.005 -4.322 1.00 0.00 C ATOM 869 C LEU A 62 11.767 9.037 -5.442 1.00 0.00 C ATOM 870 O LEU A 62 12.789 9.563 -5.882 1.00 0.00 O ATOM 871 CB LEU A 62 11.706 6.596 -4.901 1.00 0.00 C ATOM 872 CG LEU A 62 11.262 5.508 -3.922 1.00 0.00 C ATOM 873 CD1 LEU A 62 10.938 4.221 -4.665 1.00 0.00 C ATOM 874 CD2 LEU A 62 12.336 5.264 -2.873 1.00 0.00 C ATOM 0 H LEU A 62 9.899 7.830 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 62 12.811 8.098 -3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.992 6.630 -5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.667 6.305 -5.325 1.00 0.00 H new ATOM 0 HG LEU A 62 10.359 5.848 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.624 3.459 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.134 4.405 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.824 3.876 -5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.003 4.487 -2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.257 4.945 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.519 6.185 -2.319 1.00 0.00 H new ATOM 886 N GLU A 63 10.551 9.322 -5.898 1.00 0.00 N ATOM 887 CA GLU A 63 10.344 10.292 -6.966 1.00 0.00 C ATOM 888 C GLU A 63 9.325 11.349 -6.551 1.00 0.00 C ATOM 889 O GLU A 63 8.434 11.103 -5.738 1.00 0.00 O ATOM 890 CB GLU A 63 9.875 9.588 -8.241 1.00 0.00 C ATOM 891 CG GLU A 63 10.479 8.207 -8.430 1.00 0.00 C ATOM 892 CD GLU A 63 11.965 8.255 -8.727 1.00 0.00 C ATOM 893 OE1 GLU A 63 12.407 9.214 -9.391 1.00 0.00 O ATOM 894 OE2 GLU A 63 12.686 7.331 -8.293 1.00 0.00 O ATOM 0 H GLU A 63 9.695 8.895 -5.544 1.00 0.00 H new ATOM 0 HA GLU A 63 11.295 10.787 -7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.789 9.501 -8.219 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.128 10.207 -9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.311 7.615 -7.530 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.966 7.699 -9.246 1.00 0.00 H new ATOM 901 N PRO A 64 9.458 12.555 -7.123 1.00 0.00 N ATOM 902 CA PRO A 64 8.558 13.675 -6.828 1.00 0.00 C ATOM 903 C PRO A 64 7.157 13.455 -7.388 1.00 0.00 C ATOM 904 O PRO A 64 6.222 14.182 -7.051 1.00 0.00 O ATOM 905 CB PRO A 64 9.230 14.862 -7.521 1.00 0.00 C ATOM 906 CG PRO A 64 10.036 14.255 -8.617 1.00 0.00 C ATOM 907 CD PRO A 64 10.496 12.919 -8.101 1.00 0.00 C ATOM 0 HA PRO A 64 8.417 13.814 -5.756 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.491 15.561 -7.913 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.860 15.420 -6.828 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.440 14.140 -9.522 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.886 14.888 -8.873 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.570 12.183 -8.901 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.480 12.985 -7.637 1.00 0.00 H new ATOM 915 N ASP A 65 7.018 12.448 -8.244 1.00 0.00 N ATOM 916 CA ASP A 65 5.730 12.132 -8.850 1.00 0.00 C ATOM 917 C ASP A 65 5.368 10.667 -8.624 1.00 0.00 C ATOM 918 O ASP A 65 4.359 10.179 -9.135 1.00 0.00 O ATOM 919 CB ASP A 65 5.758 12.438 -10.349 1.00 0.00 C ATOM 920 CG ASP A 65 4.391 12.806 -10.890 1.00 0.00 C ATOM 921 OD1 ASP A 65 3.974 13.969 -10.706 1.00 0.00 O ATOM 922 OD2 ASP A 65 3.737 11.932 -11.497 1.00 0.00 O ATOM 0 H ASP A 65 7.782 11.837 -8.534 1.00 0.00 H new ATOM 0 HA ASP A 65 4.971 12.753 -8.375 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.452 13.257 -10.537 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.137 11.569 -10.887 1.00 0.00 H new ATOM 927 N LYS A 66 6.199 9.969 -7.857 1.00 0.00 N ATOM 928 CA LYS A 66 5.968 8.560 -7.563 1.00 0.00 C ATOM 929 C LYS A 66 6.402 8.224 -6.140 1.00 0.00 C ATOM 930 O LYS A 66 7.311 8.849 -5.593 1.00 0.00 O ATOM 931 CB LYS A 66 6.725 7.679 -8.560 1.00 0.00 C ATOM 932 CG LYS A 66 6.227 6.245 -8.603 1.00 0.00 C ATOM 933 CD LYS A 66 6.923 5.446 -9.692 1.00 0.00 C ATOM 934 CE LYS A 66 6.631 3.959 -9.566 1.00 0.00 C ATOM 935 NZ LYS A 66 7.592 3.280 -8.653 1.00 0.00 N ATOM 0 H LYS A 66 7.039 10.357 -7.428 1.00 0.00 H new ATOM 0 HA LYS A 66 4.899 8.365 -7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.639 8.115 -9.555 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.784 7.680 -8.302 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.398 5.770 -7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.151 6.238 -8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.596 5.800 -10.670 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.999 5.613 -9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.616 3.819 -9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.677 3.495 -10.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.359 2.268 -8.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.558 3.392 -9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.531 3.705 -7.706 1.00 0.00 H new ATOM 949 N TYR A 67 5.747 7.232 -5.546 1.00 0.00 N ATOM 950 CA TYR A 67 6.065 6.813 -4.186 1.00 0.00 C ATOM 951 C TYR A 67 5.962 5.298 -4.044 1.00 0.00 C ATOM 952 O TYR A 67 5.336 4.628 -4.865 1.00 0.00 O ATOM 953 CB TYR A 67 5.127 7.494 -3.188 1.00 0.00 C ATOM 954 CG TYR A 67 5.504 8.926 -2.882 1.00 0.00 C ATOM 955 CD1 TYR A 67 5.391 9.917 -3.850 1.00 0.00 C ATOM 956 CD2 TYR A 67 5.974 9.289 -1.626 1.00 0.00 C ATOM 957 CE1 TYR A 67 5.735 11.226 -3.576 1.00 0.00 C ATOM 958 CE2 TYR A 67 6.319 10.596 -1.343 1.00 0.00 C ATOM 959 CZ TYR A 67 6.198 11.561 -2.321 1.00 0.00 C ATOM 960 OH TYR A 67 6.542 12.864 -2.042 1.00 0.00 O ATOM 0 H TYR A 67 4.993 6.703 -5.985 1.00 0.00 H new ATOM 0 HA TYR A 67 7.092 7.111 -3.972 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.111 7.471 -3.583 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.121 6.923 -2.260 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.028 9.659 -4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.071 8.536 -0.858 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.642 11.983 -4.340 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.682 10.861 -0.361 1.00 0.00 H new ATOM 0 HH TYR A 67 6.848 12.930 -1.113 1.00 0.00 H new ATOM 970 N ALA A 68 6.582 4.765 -2.996 1.00 0.00 N ATOM 971 CA ALA A 68 6.559 3.329 -2.744 1.00 0.00 C ATOM 972 C ALA A 68 6.065 3.027 -1.334 1.00 0.00 C ATOM 973 O ALA A 68 6.398 3.736 -0.384 1.00 0.00 O ATOM 974 CB ALA A 68 7.942 2.733 -2.960 1.00 0.00 C ATOM 0 H ALA A 68 7.106 5.306 -2.308 1.00 0.00 H new ATOM 0 HA ALA A 68 5.865 2.872 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.910 1.660 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.257 2.909 -3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.651 3.202 -2.278 1.00 0.00 H new ATOM 980 N VAL A 69 5.269 1.971 -1.204 1.00 0.00 N ATOM 981 CA VAL A 69 4.729 1.575 0.091 1.00 0.00 C ATOM 982 C VAL A 69 4.907 0.079 0.327 1.00 0.00 C ATOM 983 O VAL A 69 4.359 -0.745 -0.405 1.00 0.00 O ATOM 984 CB VAL A 69 3.234 1.927 0.208 1.00 0.00 C ATOM 985 CG1 VAL A 69 2.713 1.590 1.597 1.00 0.00 C ATOM 986 CG2 VAL A 69 3.007 3.397 -0.113 1.00 0.00 C ATOM 0 H VAL A 69 4.984 1.374 -1.980 1.00 0.00 H new ATOM 0 HA VAL A 69 5.285 2.128 0.848 1.00 0.00 H new ATOM 0 HB VAL A 69 2.680 1.330 -0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.655 1.846 1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.841 0.524 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.269 2.159 2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.946 3.629 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.572 4.014 0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.341 3.603 -1.130 1.00 0.00 H new ATOM 996 N ARG A 70 5.677 -0.265 1.354 1.00 0.00 N ATOM 997 CA ARG A 70 5.928 -1.662 1.686 1.00 0.00 C ATOM 998 C ARG A 70 5.079 -2.099 2.876 1.00 0.00 C ATOM 999 O ARG A 70 4.937 -1.365 3.854 1.00 0.00 O ATOM 1000 CB ARG A 70 7.411 -1.876 1.998 1.00 0.00 C ATOM 1001 CG ARG A 70 7.844 -3.331 1.929 1.00 0.00 C ATOM 1002 CD ARG A 70 9.145 -3.561 2.682 1.00 0.00 C ATOM 1003 NE ARG A 70 10.302 -3.066 1.940 1.00 0.00 N ATOM 1004 CZ ARG A 70 11.456 -2.739 2.511 1.00 0.00 C ATOM 1005 NH1 ARG A 70 11.606 -2.854 3.823 1.00 0.00 N ATOM 1006 NH2 ARG A 70 12.462 -2.296 1.768 1.00 0.00 N ATOM 0 H ARG A 70 6.138 0.404 1.970 1.00 0.00 H new ATOM 0 HA ARG A 70 5.654 -2.269 0.823 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.009 -1.294 1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.623 -1.489 2.995 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.063 -3.965 2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.968 -3.626 0.887 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.096 -3.064 3.651 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.268 -4.626 2.876 1.00 0.00 H new ATOM 0 HE ARG A 70 10.219 -2.966 0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.834 -3.194 4.397 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.493 -2.602 4.259 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.349 -2.206 0.758 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.348 -2.045 2.207 1.00 0.00 H new ATOM 1020 N PHE A 71 4.516 -3.300 2.785 1.00 0.00 N ATOM 1021 CA PHE A 71 3.680 -3.834 3.853 1.00 0.00 C ATOM 1022 C PHE A 71 3.608 -5.357 3.777 1.00 0.00 C ATOM 1023 O PHE A 71 3.794 -5.945 2.712 1.00 0.00 O ATOM 1024 CB PHE A 71 2.271 -3.241 3.772 1.00 0.00 C ATOM 1025 CG PHE A 71 1.454 -3.790 2.637 1.00 0.00 C ATOM 1026 CD1 PHE A 71 1.714 -3.406 1.331 1.00 0.00 C ATOM 1027 CD2 PHE A 71 0.427 -4.688 2.877 1.00 0.00 C ATOM 1028 CE1 PHE A 71 0.964 -3.910 0.285 1.00 0.00 C ATOM 1029 CE2 PHE A 71 -0.326 -5.195 1.834 1.00 0.00 C ATOM 1030 CZ PHE A 71 -0.058 -4.804 0.537 1.00 0.00 C ATOM 0 H PHE A 71 4.624 -3.921 1.983 1.00 0.00 H new ATOM 0 HA PHE A 71 4.130 -3.556 4.806 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.750 -3.433 4.710 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.346 -2.159 3.665 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.511 -2.706 1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.212 -4.995 3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.177 -3.605 -0.729 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.123 -5.896 2.034 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.647 -5.197 -0.279 1.00 0.00 H new ATOM 1040 N ILE A 72 3.337 -5.988 4.915 1.00 0.00 N ATOM 1041 CA ILE A 72 3.240 -7.441 4.978 1.00 0.00 C ATOM 1042 C ILE A 72 1.784 -7.894 4.993 1.00 0.00 C ATOM 1043 O ILE A 72 1.120 -7.897 6.030 1.00 0.00 O ATOM 1044 CB ILE A 72 3.953 -7.999 6.223 1.00 0.00 C ATOM 1045 CG1 ILE A 72 5.457 -7.730 6.140 1.00 0.00 C ATOM 1046 CG2 ILE A 72 3.684 -9.490 6.364 1.00 0.00 C ATOM 1047 CD1 ILE A 72 6.217 -8.158 7.376 1.00 0.00 C ATOM 0 H ILE A 72 3.181 -5.516 5.805 1.00 0.00 H new ATOM 0 HA ILE A 72 3.730 -7.829 4.085 1.00 0.00 H new ATOM 0 HB ILE A 72 3.560 -7.493 7.105 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.864 -8.252 5.274 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.619 -6.665 5.975 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.195 -9.870 7.249 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.612 -9.658 6.464 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.052 -10.011 5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.276 -7.937 7.246 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.837 -7.617 8.242 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.086 -9.229 7.531 1.00 0.00 H new ATOM 1059 N PRO A 73 1.275 -8.290 3.817 1.00 0.00 N ATOM 1060 CA PRO A 73 -0.107 -8.755 3.670 1.00 0.00 C ATOM 1061 C PRO A 73 -0.337 -10.108 4.335 1.00 0.00 C ATOM 1062 O PRO A 73 -0.342 -11.145 3.671 1.00 0.00 O ATOM 1063 CB PRO A 73 -0.283 -8.869 2.153 1.00 0.00 C ATOM 1064 CG PRO A 73 1.094 -9.080 1.627 1.00 0.00 C ATOM 1065 CD PRO A 73 2.009 -8.313 2.541 1.00 0.00 C ATOM 0 HA PRO A 73 -0.817 -8.079 4.146 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.938 -9.700 1.892 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.732 -7.967 1.738 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.350 -10.139 1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.179 -8.723 0.601 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.978 -8.802 2.643 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.198 -7.306 2.168 1.00 0.00 H new ATOM 1073 N HIS A 74 -0.529 -10.090 5.650 1.00 0.00 N ATOM 1074 CA HIS A 74 -0.761 -11.316 6.406 1.00 0.00 C ATOM 1075 C HIS A 74 -2.070 -11.234 7.185 1.00 0.00 C ATOM 1076 O HIS A 74 -2.152 -10.556 8.209 1.00 0.00 O ATOM 1077 CB HIS A 74 0.401 -11.577 7.364 1.00 0.00 C ATOM 1078 CG HIS A 74 0.478 -10.597 8.494 1.00 0.00 C ATOM 1079 ND1 HIS A 74 1.012 -9.333 8.359 1.00 0.00 N ATOM 1080 CD2 HIS A 74 0.083 -10.701 9.785 1.00 0.00 C ATOM 1081 CE1 HIS A 74 0.943 -8.703 9.518 1.00 0.00 C ATOM 1082 NE2 HIS A 74 0.383 -9.511 10.399 1.00 0.00 N ATOM 0 H HIS A 74 -0.529 -9.240 6.214 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.831 -12.142 5.699 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.305 -12.583 7.772 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.336 -11.548 6.804 1.00 0.00 H new ATOM 0 HD1 HIS A 74 1.400 -8.945 7.499 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.382 -11.560 10.246 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.286 -7.698 9.712 1.00 0.00 H new ATOM 1090 N GLU A 75 -3.091 -11.929 6.693 1.00 0.00 N ATOM 1091 CA GLU A 75 -4.396 -11.932 7.343 1.00 0.00 C ATOM 1092 C GLU A 75 -5.081 -13.286 7.182 1.00 0.00 C ATOM 1093 O GLU A 75 -4.589 -14.161 6.470 1.00 0.00 O ATOM 1094 CB GLU A 75 -5.282 -10.828 6.764 1.00 0.00 C ATOM 1095 CG GLU A 75 -6.386 -10.377 7.706 1.00 0.00 C ATOM 1096 CD GLU A 75 -5.920 -10.274 9.145 1.00 0.00 C ATOM 1097 OE1 GLU A 75 -4.945 -9.536 9.401 1.00 0.00 O ATOM 1098 OE2 GLU A 75 -6.528 -10.931 10.015 1.00 0.00 O ATOM 0 H GLU A 75 -3.039 -12.497 5.847 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.244 -11.745 8.406 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.660 -9.970 6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.730 -11.183 5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.763 -9.408 7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.218 -11.079 7.647 1.00 0.00 H new ATOM 1105 N ASN A 76 -6.219 -13.451 7.848 1.00 0.00 N ATOM 1106 CA ASN A 76 -6.972 -14.698 7.780 1.00 0.00 C ATOM 1107 C ASN A 76 -8.194 -14.547 6.879 1.00 0.00 C ATOM 1108 O ASN A 76 -9.127 -15.347 6.941 1.00 0.00 O ATOM 1109 CB ASN A 76 -7.408 -15.133 9.180 1.00 0.00 C ATOM 1110 CG ASN A 76 -7.738 -13.953 10.075 1.00 0.00 C ATOM 1111 OD1 ASN A 76 -7.137 -13.776 11.135 1.00 0.00 O ATOM 1112 ND2 ASN A 76 -8.698 -13.140 9.651 1.00 0.00 N ATOM 0 H ASN A 76 -6.640 -12.736 8.441 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.321 -15.463 7.356 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -8.281 -15.781 9.101 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.614 -15.722 9.638 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -8.964 -12.330 10.211 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.169 -13.325 8.766 1.00 0.00 H new ATOM 1119 N GLY A 77 -8.180 -13.515 6.040 1.00 0.00 N ATOM 1120 CA GLY A 77 -9.292 -13.278 5.138 1.00 0.00 C ATOM 1121 C GLY A 77 -9.017 -12.151 4.163 1.00 0.00 C ATOM 1122 O GLY A 77 -8.053 -12.202 3.399 1.00 0.00 O ATOM 0 H GLY A 77 -7.419 -12.840 5.969 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.506 -14.191 4.582 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.183 -13.042 5.719 1.00 0.00 H new ATOM 1126 N VAL A 78 -9.868 -11.129 4.187 1.00 0.00 N ATOM 1127 CA VAL A 78 -9.712 -9.984 3.298 1.00 0.00 C ATOM 1128 C VAL A 78 -9.020 -8.826 4.009 1.00 0.00 C ATOM 1129 O VAL A 78 -9.384 -8.464 5.128 1.00 0.00 O ATOM 1130 CB VAL A 78 -11.073 -9.502 2.760 1.00 0.00 C ATOM 1131 CG1 VAL A 78 -10.890 -8.302 1.844 1.00 0.00 C ATOM 1132 CG2 VAL A 78 -11.789 -10.632 2.036 1.00 0.00 C ATOM 0 H VAL A 78 -10.672 -11.071 4.812 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.095 -10.314 2.462 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.690 -9.193 3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.862 -7.975 1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.421 -7.489 2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.256 -8.580 1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.749 -10.274 1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.178 -10.973 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.954 -11.459 2.726 1.00 0.00 H new ATOM 1142 N HIS A 79 -8.020 -8.248 3.351 1.00 0.00 N ATOM 1143 CA HIS A 79 -7.276 -7.130 3.920 1.00 0.00 C ATOM 1144 C HIS A 79 -7.896 -5.799 3.506 1.00 0.00 C ATOM 1145 O HIS A 79 -8.665 -5.731 2.546 1.00 0.00 O ATOM 1146 CB HIS A 79 -5.814 -7.184 3.477 1.00 0.00 C ATOM 1147 CG HIS A 79 -5.213 -8.554 3.562 1.00 0.00 C ATOM 1148 ND1 HIS A 79 -4.135 -8.854 4.368 1.00 0.00 N ATOM 1149 CD2 HIS A 79 -5.547 -9.707 2.938 1.00 0.00 C ATOM 1150 CE1 HIS A 79 -3.830 -10.132 4.233 1.00 0.00 C ATOM 1151 NE2 HIS A 79 -4.673 -10.673 3.372 1.00 0.00 N ATOM 0 H HIS A 79 -7.706 -8.535 2.424 1.00 0.00 H new ATOM 0 HA HIS A 79 -7.322 -7.211 5.006 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.741 -6.827 2.450 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.230 -6.501 4.094 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.649 -8.192 4.974 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.351 -9.842 2.230 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.028 -10.647 4.740 1.00 0.00 H new ATOM 1159 N THR A 80 -7.558 -4.741 4.236 1.00 0.00 N ATOM 1160 CA THR A 80 -8.083 -3.412 3.946 1.00 0.00 C ATOM 1161 C THR A 80 -6.982 -2.360 4.012 1.00 0.00 C ATOM 1162 O THR A 80 -6.449 -2.072 5.084 1.00 0.00 O ATOM 1163 CB THR A 80 -9.206 -3.026 4.926 1.00 0.00 C ATOM 1164 OG1 THR A 80 -10.126 -4.114 5.071 1.00 0.00 O ATOM 1165 CG2 THR A 80 -9.947 -1.790 4.439 1.00 0.00 C ATOM 0 H THR A 80 -6.923 -4.778 5.033 1.00 0.00 H new ATOM 0 HA THR A 80 -8.489 -3.446 2.935 1.00 0.00 H new ATOM 0 HB THR A 80 -8.754 -2.802 5.892 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.836 -3.861 5.697 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.736 -1.536 5.147 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.250 -0.956 4.358 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.387 -1.991 3.462 1.00 0.00 H new ATOM 1173 N ILE A 81 -6.645 -1.789 2.860 1.00 0.00 N ATOM 1174 CA ILE A 81 -5.609 -0.767 2.789 1.00 0.00 C ATOM 1175 C ILE A 81 -6.185 0.620 3.052 1.00 0.00 C ATOM 1176 O ILE A 81 -7.258 0.963 2.554 1.00 0.00 O ATOM 1177 CB ILE A 81 -4.910 -0.768 1.416 1.00 0.00 C ATOM 1178 CG1 ILE A 81 -4.326 -2.151 1.118 1.00 0.00 C ATOM 1179 CG2 ILE A 81 -3.821 0.293 1.375 1.00 0.00 C ATOM 1180 CD1 ILE A 81 -4.004 -2.368 -0.344 1.00 0.00 C ATOM 0 H ILE A 81 -7.075 -2.017 1.964 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.877 -1.006 3.561 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.648 -0.533 0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.418 -2.288 1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.034 -2.913 1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.337 0.280 0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.263 1.274 1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.082 0.086 2.149 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.594 -3.369 -0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.913 -2.264 -0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.272 -1.628 -0.669 1.00 0.00 H new ATOM 1192 N ASP A 82 -5.465 1.415 3.836 1.00 0.00 N ATOM 1193 CA ASP A 82 -5.903 2.766 4.164 1.00 0.00 C ATOM 1194 C ASP A 82 -4.946 3.803 3.584 1.00 0.00 C ATOM 1195 O ASP A 82 -3.855 4.020 4.111 1.00 0.00 O ATOM 1196 CB ASP A 82 -6.003 2.940 5.680 1.00 0.00 C ATOM 1197 CG ASP A 82 -6.136 4.393 6.090 1.00 0.00 C ATOM 1198 OD1 ASP A 82 -5.267 5.202 5.699 1.00 0.00 O ATOM 1199 OD2 ASP A 82 -7.108 4.723 6.800 1.00 0.00 O ATOM 0 H ASP A 82 -4.575 1.147 4.256 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.888 2.918 3.723 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -6.862 2.381 6.051 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.118 2.513 6.151 1.00 0.00 H new ATOM 1204 N VAL A 83 -5.363 4.441 2.494 1.00 0.00 N ATOM 1205 CA VAL A 83 -4.543 5.455 1.841 1.00 0.00 C ATOM 1206 C VAL A 83 -5.071 6.856 2.128 1.00 0.00 C ATOM 1207 O VAL A 83 -6.230 7.164 1.851 1.00 0.00 O ATOM 1208 CB VAL A 83 -4.492 5.240 0.317 1.00 0.00 C ATOM 1209 CG1 VAL A 83 -3.639 6.311 -0.345 1.00 0.00 C ATOM 1210 CG2 VAL A 83 -3.964 3.850 -0.007 1.00 0.00 C ATOM 0 H VAL A 83 -6.263 4.273 2.045 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.536 5.358 2.248 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.505 5.321 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.615 6.143 -1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.065 7.293 -0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.625 6.266 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.935 3.715 -1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.959 3.738 0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.620 3.100 0.435 1.00 0.00 H new ATOM 1220 N LYS A 84 -4.212 7.703 2.685 1.00 0.00 N ATOM 1221 CA LYS A 84 -4.589 9.074 3.009 1.00 0.00 C ATOM 1222 C LYS A 84 -3.623 10.069 2.374 1.00 0.00 C ATOM 1223 O LYS A 84 -2.430 9.794 2.245 1.00 0.00 O ATOM 1224 CB LYS A 84 -4.617 9.272 4.527 1.00 0.00 C ATOM 1225 CG LYS A 84 -5.872 8.728 5.188 1.00 0.00 C ATOM 1226 CD LYS A 84 -5.667 8.507 6.677 1.00 0.00 C ATOM 1227 CE LYS A 84 -6.981 8.585 7.438 1.00 0.00 C ATOM 1228 NZ LYS A 84 -7.556 9.958 7.415 1.00 0.00 N ATOM 0 H LYS A 84 -3.249 7.464 2.922 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.586 9.255 2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.746 8.785 4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.532 10.336 4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.697 9.424 5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.155 7.787 4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.207 7.532 6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.976 9.255 7.065 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.695 7.885 7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.821 8.276 8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.173 10.090 8.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.787 10.657 7.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.111 10.088 6.545 1.00 0.00 H new ATOM 1242 N PHE A 85 -4.146 11.225 1.980 1.00 0.00 N ATOM 1243 CA PHE A 85 -3.329 12.261 1.359 1.00 0.00 C ATOM 1244 C PHE A 85 -3.630 13.628 1.967 1.00 0.00 C ATOM 1245 O PHE A 85 -4.540 14.328 1.525 1.00 0.00 O ATOM 1246 CB PHE A 85 -3.574 12.296 -0.151 1.00 0.00 C ATOM 1247 CG PHE A 85 -2.547 13.092 -0.906 1.00 0.00 C ATOM 1248 CD1 PHE A 85 -2.608 14.475 -0.935 1.00 0.00 C ATOM 1249 CD2 PHE A 85 -1.522 12.455 -1.587 1.00 0.00 C ATOM 1250 CE1 PHE A 85 -1.665 15.210 -1.629 1.00 0.00 C ATOM 1251 CE2 PHE A 85 -0.576 13.184 -2.282 1.00 0.00 C ATOM 1252 CZ PHE A 85 -0.648 14.564 -2.304 1.00 0.00 C ATOM 0 H PHE A 85 -5.132 11.468 2.080 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.282 12.023 1.545 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.584 11.275 -0.533 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.561 12.718 -0.341 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.401 14.985 -0.409 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.462 11.377 -1.574 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.724 16.288 -1.643 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.219 12.676 -2.808 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.089 15.136 -2.848 1.00 0.00 H new ATOM 1262 N ASN A 86 -2.859 14.000 2.983 1.00 0.00 N ATOM 1263 CA ASN A 86 -3.043 15.283 3.653 1.00 0.00 C ATOM 1264 C ASN A 86 -4.335 15.293 4.463 1.00 0.00 C ATOM 1265 O ASN A 86 -4.933 16.345 4.686 1.00 0.00 O ATOM 1266 CB ASN A 86 -3.062 16.419 2.628 1.00 0.00 C ATOM 1267 CG ASN A 86 -2.566 17.729 3.208 1.00 0.00 C ATOM 1268 OD1 ASN A 86 -2.907 18.091 4.334 1.00 0.00 O ATOM 1269 ND2 ASN A 86 -1.755 18.447 2.439 1.00 0.00 N ATOM 0 H ASN A 86 -2.101 13.432 3.361 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.206 15.432 4.335 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.442 16.145 1.774 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.078 16.551 2.255 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.389 19.337 2.776 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.499 18.108 1.512 1.00 0.00 H new ATOM 1276 N GLY A 87 -4.760 14.112 4.903 1.00 0.00 N ATOM 1277 CA GLY A 87 -5.979 14.006 5.685 1.00 0.00 C ATOM 1278 C GLY A 87 -7.208 13.815 4.819 1.00 0.00 C ATOM 1279 O GLY A 87 -8.187 14.550 4.949 1.00 0.00 O ATOM 0 H GLY A 87 -4.282 13.227 4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.892 13.168 6.377 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.100 14.906 6.288 1.00 0.00 H new ATOM 1283 N SER A 88 -7.158 12.827 3.932 1.00 0.00 N ATOM 1284 CA SER A 88 -8.274 12.544 3.037 1.00 0.00 C ATOM 1285 C SER A 88 -8.065 11.220 2.309 1.00 0.00 C ATOM 1286 O SER A 88 -6.981 10.947 1.791 1.00 0.00 O ATOM 1287 CB SER A 88 -8.441 13.677 2.023 1.00 0.00 C ATOM 1288 OG SER A 88 -9.524 13.421 1.146 1.00 0.00 O ATOM 0 H SER A 88 -6.356 12.208 3.814 1.00 0.00 H new ATOM 0 HA SER A 88 -9.180 12.468 3.638 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.609 14.617 2.548 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.523 13.793 1.448 1.00 0.00 H new ATOM 0 HG SER A 88 -9.611 14.161 0.509 1.00 0.00 H new ATOM 1294 N HIS A 89 -9.111 10.401 2.272 1.00 0.00 N ATOM 1295 CA HIS A 89 -9.043 9.105 1.606 1.00 0.00 C ATOM 1296 C HIS A 89 -9.166 9.264 0.094 1.00 0.00 C ATOM 1297 O HIS A 89 -10.210 9.671 -0.415 1.00 0.00 O ATOM 1298 CB HIS A 89 -10.147 8.183 2.125 1.00 0.00 C ATOM 1299 CG HIS A 89 -9.936 7.732 3.538 1.00 0.00 C ATOM 1300 ND1 HIS A 89 -9.814 6.405 3.893 1.00 0.00 N ATOM 1301 CD2 HIS A 89 -9.824 8.439 4.686 1.00 0.00 C ATOM 1302 CE1 HIS A 89 -9.637 6.316 5.200 1.00 0.00 C ATOM 1303 NE2 HIS A 89 -9.639 7.537 5.704 1.00 0.00 N ATOM 0 H HIS A 89 -10.015 10.611 2.695 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.073 8.660 1.829 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.104 8.701 2.057 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.212 7.308 1.479 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -9.854 5.616 3.248 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -9.871 9.514 4.783 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.512 5.401 5.760 1.00 0.00 H new ATOM 1311 N VAL A 90 -8.092 8.940 -0.620 1.00 0.00 N ATOM 1312 CA VAL A 90 -8.079 9.046 -2.074 1.00 0.00 C ATOM 1313 C VAL A 90 -9.265 8.312 -2.689 1.00 0.00 C ATOM 1314 O VAL A 90 -10.073 7.712 -1.980 1.00 0.00 O ATOM 1315 CB VAL A 90 -6.775 8.480 -2.667 1.00 0.00 C ATOM 1316 CG1 VAL A 90 -5.567 9.182 -2.066 1.00 0.00 C ATOM 1317 CG2 VAL A 90 -6.696 6.978 -2.441 1.00 0.00 C ATOM 0 H VAL A 90 -7.219 8.602 -0.214 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.148 10.107 -2.314 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.775 8.663 -3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.655 8.769 -2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.621 10.249 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.559 9.032 -0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.769 6.594 -2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.718 6.769 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.544 6.492 -2.923 1.00 0.00 H new ATOM 1327 N VAL A 91 -9.364 8.363 -4.013 1.00 0.00 N ATOM 1328 CA VAL A 91 -10.451 7.702 -4.725 1.00 0.00 C ATOM 1329 C VAL A 91 -10.385 6.189 -4.546 1.00 0.00 C ATOM 1330 O VAL A 91 -9.308 5.595 -4.587 1.00 0.00 O ATOM 1331 CB VAL A 91 -10.418 8.031 -6.230 1.00 0.00 C ATOM 1332 CG1 VAL A 91 -10.190 9.519 -6.446 1.00 0.00 C ATOM 1333 CG2 VAL A 91 -9.346 7.211 -6.931 1.00 0.00 C ATOM 0 H VAL A 91 -8.704 8.856 -4.615 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.382 8.076 -4.299 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.384 7.769 -6.663 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.170 9.733 -7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.998 10.082 -5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.239 9.810 -6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.337 7.456 -7.993 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.372 7.439 -6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.560 6.150 -6.805 1.00 0.00 H new ATOM 1343 N GLY A 92 -11.545 5.571 -4.345 1.00 0.00 N ATOM 1344 CA GLY A 92 -11.597 4.132 -4.162 1.00 0.00 C ATOM 1345 C GLY A 92 -10.880 3.681 -2.906 1.00 0.00 C ATOM 1346 O GLY A 92 -10.229 2.636 -2.895 1.00 0.00 O ATOM 0 H GLY A 92 -12.449 6.041 -4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.638 3.812 -4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.150 3.642 -5.027 1.00 0.00 H new ATOM 1350 N SER A 93 -10.997 4.472 -1.843 1.00 0.00 N ATOM 1351 CA SER A 93 -10.349 4.151 -0.577 1.00 0.00 C ATOM 1352 C SER A 93 -11.368 4.109 0.559 1.00 0.00 C ATOM 1353 O SER A 93 -12.308 4.902 0.613 1.00 0.00 O ATOM 1354 CB SER A 93 -9.260 5.178 -0.262 1.00 0.00 C ATOM 1355 OG SER A 93 -8.596 4.862 0.950 1.00 0.00 O ATOM 0 H SER A 93 -11.534 5.339 -1.834 1.00 0.00 H new ATOM 0 HA SER A 93 -9.893 3.165 -0.670 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.538 5.209 -1.078 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.703 6.171 -0.190 1.00 0.00 H new ATOM 0 HG SER A 93 -7.904 5.532 1.128 1.00 0.00 H new ATOM 1361 N PRO A 94 -11.177 3.161 1.488 1.00 0.00 N ATOM 1362 CA PRO A 94 -10.062 2.211 1.434 1.00 0.00 C ATOM 1363 C PRO A 94 -10.212 1.205 0.298 1.00 0.00 C ATOM 1364 O PRO A 94 -11.179 1.252 -0.463 1.00 0.00 O ATOM 1365 CB PRO A 94 -10.133 1.503 2.789 1.00 0.00 C ATOM 1366 CG PRO A 94 -11.558 1.625 3.206 1.00 0.00 C ATOM 1367 CD PRO A 94 -12.037 2.943 2.664 1.00 0.00 C ATOM 0 HA PRO A 94 -9.111 2.709 1.248 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.833 0.458 2.706 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.467 1.969 3.515 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.152 0.801 2.810 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.651 1.593 4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.091 2.905 2.389 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.927 3.743 3.396 1.00 0.00 H new ATOM 1375 N PHE A 95 -9.250 0.295 0.189 1.00 0.00 N ATOM 1376 CA PHE A 95 -9.276 -0.723 -0.855 1.00 0.00 C ATOM 1377 C PHE A 95 -9.491 -2.110 -0.257 1.00 0.00 C ATOM 1378 O PHE A 95 -9.072 -2.387 0.867 1.00 0.00 O ATOM 1379 CB PHE A 95 -7.971 -0.697 -1.654 1.00 0.00 C ATOM 1380 CG PHE A 95 -7.824 0.519 -2.523 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -8.493 0.607 -3.733 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -7.018 1.575 -2.129 1.00 0.00 C ATOM 1383 CE1 PHE A 95 -8.359 1.724 -4.535 1.00 0.00 C ATOM 1384 CE2 PHE A 95 -6.880 2.695 -2.927 1.00 0.00 C ATOM 1385 CZ PHE A 95 -7.553 2.770 -4.131 1.00 0.00 C ATOM 0 H PHE A 95 -8.443 0.241 0.810 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.108 -0.502 -1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.130 -0.743 -0.962 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -7.919 -1.589 -2.279 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -9.127 -0.207 -4.053 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.492 1.522 -1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.884 1.779 -5.477 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.247 3.510 -2.610 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.449 3.645 -4.755 1.00 0.00 H new ATOM 1395 N LYS A 96 -10.150 -2.979 -1.016 1.00 0.00 N ATOM 1396 CA LYS A 96 -10.422 -4.339 -0.564 1.00 0.00 C ATOM 1397 C LYS A 96 -9.746 -5.360 -1.472 1.00 0.00 C ATOM 1398 O LYS A 96 -9.973 -5.375 -2.683 1.00 0.00 O ATOM 1399 CB LYS A 96 -11.931 -4.593 -0.526 1.00 0.00 C ATOM 1400 CG LYS A 96 -12.552 -4.774 -1.900 1.00 0.00 C ATOM 1401 CD LYS A 96 -12.542 -6.232 -2.329 1.00 0.00 C ATOM 1402 CE LYS A 96 -13.781 -6.965 -1.837 1.00 0.00 C ATOM 1403 NZ LYS A 96 -13.737 -8.415 -2.174 1.00 0.00 N ATOM 0 H LYS A 96 -10.506 -2.766 -1.948 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.016 -4.449 0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.126 -5.483 0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.419 -3.758 -0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.577 -4.404 -1.888 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.006 -4.176 -2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.490 -6.292 -3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.649 -6.721 -1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.869 -6.845 -0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.669 -6.516 -2.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.598 -8.879 -1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.679 -8.530 -3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.903 -8.850 -1.730 1.00 0.00 H new ATOM 1417 N VAL A 97 -8.917 -6.214 -0.881 1.00 0.00 N ATOM 1418 CA VAL A 97 -8.210 -7.241 -1.638 1.00 0.00 C ATOM 1419 C VAL A 97 -8.314 -8.598 -0.951 1.00 0.00 C ATOM 1420 O VAL A 97 -8.865 -8.711 0.144 1.00 0.00 O ATOM 1421 CB VAL A 97 -6.723 -6.882 -1.818 1.00 0.00 C ATOM 1422 CG1 VAL A 97 -6.574 -5.642 -2.685 1.00 0.00 C ATOM 1423 CG2 VAL A 97 -6.057 -6.680 -0.465 1.00 0.00 C ATOM 0 H VAL A 97 -8.718 -6.215 0.119 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.684 -7.295 -2.618 1.00 0.00 H new ATOM 0 HB VAL A 97 -6.225 -7.710 -2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.517 -5.404 -2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.013 -5.828 -3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.085 -4.804 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.007 -6.427 -0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.555 -5.870 0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.132 -7.598 0.118 1.00 0.00 H new ATOM 1433 N ARG A 98 -7.781 -9.627 -1.603 1.00 0.00 N ATOM 1434 CA ARG A 98 -7.815 -10.978 -1.056 1.00 0.00 C ATOM 1435 C ARG A 98 -6.469 -11.673 -1.240 1.00 0.00 C ATOM 1436 O ARG A 98 -5.939 -11.739 -2.349 1.00 0.00 O ATOM 1437 CB ARG A 98 -8.920 -11.796 -1.727 1.00 0.00 C ATOM 1438 CG ARG A 98 -9.453 -12.926 -0.862 1.00 0.00 C ATOM 1439 CD ARG A 98 -10.096 -14.017 -1.704 1.00 0.00 C ATOM 1440 NE ARG A 98 -10.662 -15.082 -0.880 1.00 0.00 N ATOM 1441 CZ ARG A 98 -11.363 -16.097 -1.372 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -11.582 -16.185 -2.677 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -11.845 -17.028 -0.559 1.00 0.00 N ATOM 0 H ARG A 98 -7.321 -9.550 -2.510 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.024 -10.905 0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -9.743 -11.132 -1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.537 -12.213 -2.659 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.639 -13.351 -0.274 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.184 -12.532 -0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.880 -13.582 -2.323 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.353 -14.438 -2.381 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.511 -15.044 0.128 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.212 -15.472 -3.305 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.121 -16.966 -3.052 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.677 -16.965 0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.383 -17.807 -0.938 1.00 0.00 H new ATOM 1457 N VAL A 99 -5.921 -12.189 -0.145 1.00 0.00 N ATOM 1458 CA VAL A 99 -4.637 -12.880 -0.185 1.00 0.00 C ATOM 1459 C VAL A 99 -4.823 -14.372 -0.437 1.00 0.00 C ATOM 1460 O VAL A 99 -5.749 -14.990 0.088 1.00 0.00 O ATOM 1461 CB VAL A 99 -3.854 -12.685 1.126 1.00 0.00 C ATOM 1462 CG1 VAL A 99 -4.504 -13.467 2.258 1.00 0.00 C ATOM 1463 CG2 VAL A 99 -2.401 -13.101 0.946 1.00 0.00 C ATOM 0 H VAL A 99 -6.346 -12.142 0.781 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.069 -12.444 -1.007 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.876 -11.627 1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.937 -13.317 3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.526 -13.117 2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.515 -14.528 2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.862 -12.956 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.356 -14.152 0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.942 -12.493 0.166 1.00 0.00 H new ATOM 1473 N GLY A 100 -3.936 -14.946 -1.244 1.00 0.00 N ATOM 1474 CA GLY A 100 -4.020 -16.362 -1.551 1.00 0.00 C ATOM 1475 C GLY A 100 -3.526 -16.682 -2.948 1.00 0.00 C ATOM 1476 O GLY A 100 -4.011 -16.120 -3.928 1.00 0.00 O ATOM 0 H GLY A 100 -3.161 -14.456 -1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.434 -16.924 -0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.054 -16.692 -1.450 1.00 0.00 H new ATOM 1480 N GLU A 101 -2.556 -17.587 -3.038 1.00 0.00 N ATOM 1481 CA GLU A 101 -1.995 -17.979 -4.325 1.00 0.00 C ATOM 1482 C GLU A 101 -3.034 -18.708 -5.173 1.00 0.00 C ATOM 1483 O GLU A 101 -3.863 -19.465 -4.668 1.00 0.00 O ATOM 1484 CB GLU A 101 -0.769 -18.872 -4.122 1.00 0.00 C ATOM 1485 CG GLU A 101 -1.098 -20.231 -3.528 1.00 0.00 C ATOM 1486 CD GLU A 101 0.142 -21.029 -3.174 1.00 0.00 C ATOM 1487 OE1 GLU A 101 1.045 -20.464 -2.523 1.00 0.00 O ATOM 1488 OE2 GLU A 101 0.208 -22.219 -3.548 1.00 0.00 O ATOM 0 H GLU A 101 -2.143 -18.062 -2.235 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.693 -17.073 -4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -0.271 -19.015 -5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.062 -18.361 -3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.705 -20.095 -2.633 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.700 -20.798 -4.239 1.00 0.00 H new ATOM 1495 N PRO A 102 -2.989 -18.474 -6.493 1.00 0.00 N ATOM 1496 CA PRO A 102 -3.919 -19.098 -7.439 1.00 0.00 C ATOM 1497 C PRO A 102 -3.669 -20.594 -7.596 1.00 0.00 C ATOM 1498 O PRO A 102 -2.593 -21.013 -8.021 1.00 0.00 O ATOM 1499 CB PRO A 102 -3.632 -18.367 -8.753 1.00 0.00 C ATOM 1500 CG PRO A 102 -2.226 -17.891 -8.622 1.00 0.00 C ATOM 1501 CD PRO A 102 -2.027 -17.584 -7.163 1.00 0.00 C ATOM 0 HA PRO A 102 -4.954 -19.016 -7.107 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -3.747 -19.032 -9.609 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.320 -17.534 -8.901 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -1.523 -18.652 -8.960 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.055 -17.005 -9.234 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -1.004 -17.786 -6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.228 -16.536 -6.942 1.00 0.00 H new ATOM 1509 N GLY A 103 -4.672 -21.397 -7.250 1.00 0.00 N ATOM 1510 CA GLY A 103 -4.540 -22.838 -7.360 1.00 0.00 C ATOM 1511 C GLY A 103 -5.756 -23.573 -6.832 1.00 0.00 C ATOM 1512 O GLY A 103 -6.408 -23.113 -5.895 1.00 0.00 O ATOM 0 H GLY A 103 -5.573 -21.075 -6.896 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -4.382 -23.107 -8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.656 -23.162 -6.810 1.00 0.00 H new ATOM 1516 N GLN A 104 -6.063 -24.716 -7.436 1.00 0.00 N ATOM 1517 CA GLN A 104 -7.210 -25.515 -7.021 1.00 0.00 C ATOM 1518 C GLN A 104 -6.760 -26.792 -6.320 1.00 0.00 C ATOM 1519 O GLN A 104 -7.240 -27.118 -5.235 1.00 0.00 O ATOM 1520 CB GLN A 104 -8.080 -25.862 -8.231 1.00 0.00 C ATOM 1521 CG GLN A 104 -9.552 -26.036 -7.892 1.00 0.00 C ATOM 1522 CD GLN A 104 -10.281 -26.913 -8.891 1.00 0.00 C ATOM 1523 OE1 GLN A 104 -9.785 -27.167 -9.989 1.00 0.00 O ATOM 1524 NE2 GLN A 104 -11.465 -27.380 -8.514 1.00 0.00 N ATOM 0 H GLN A 104 -5.534 -25.110 -8.214 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.797 -24.925 -6.317 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -7.978 -25.075 -8.979 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -7.709 -26.782 -8.683 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -9.643 -26.472 -6.897 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -10.031 -25.057 -7.856 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -11.837 -27.144 -7.594 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.003 -27.975 -9.144 1.00 0.00 H new ATOM 1533 N ALA A 105 -5.836 -27.512 -6.948 1.00 0.00 N ATOM 1534 CA ALA A 105 -5.320 -28.753 -6.384 1.00 0.00 C ATOM 1535 C ALA A 105 -6.403 -29.825 -6.333 1.00 0.00 C ATOM 1536 O ALA A 105 -6.636 -30.438 -5.292 1.00 0.00 O ATOM 1537 CB ALA A 105 -4.755 -28.505 -4.993 1.00 0.00 C ATOM 0 H ALA A 105 -5.429 -27.257 -7.848 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.520 -29.112 -7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.373 -29.440 -4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.945 -27.778 -5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.541 -28.119 -4.344 1.00 0.00 H new ATOM 1543 N GLY A 106 -7.064 -30.046 -7.465 1.00 0.00 N ATOM 1544 CA GLY A 106 -8.116 -31.044 -7.528 1.00 0.00 C ATOM 1545 C GLY A 106 -9.391 -30.505 -8.144 1.00 0.00 C ATOM 1546 O GLY A 106 -10.426 -31.171 -8.128 1.00 0.00 O ATOM 0 H GLY A 106 -6.890 -29.552 -8.340 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.768 -31.898 -8.109 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.328 -31.408 -6.523 1.00 0.00 H new TER 1550 GLY A 106